NMR Compound Spectrum Catalog

Experimental ¹H / ¹³C pages for common laboratory compounds. Filter by letter or carbon count, then open a compound for peak tables and stick spectra. Also try ¹H prediction and ¹³C prediction.

Browse All 2593

A–ZA 93 B 92 C 104 D 199 E 103 F 17 G 32 H 53 I 83 J 1 K 3 L 15 M 143 N 101 O 39 P 149 Q 4 R 5 S 37 T 133 U 41 V 30WX 2YZ 1 # 1113

CarbonsC1–C4 539 C5–C8 1285 C9–C12 768 C13–C18 1C19+

Showing 1–80 of 92 · letter B · page 1/2

Name	CAS	Formula	Slug
barbital	57-44-3	C8H12N2O3	`barbital`
Barbituric Acid	67-52-7	C4H4N2O3	`barbituric-acid`
bemegride	64-65-3	C8H13NO2	`bemegride`
Bentazone	25057-89-0	C10H12N2O3S	`bentazone`
Benzal chloride	98-87-3	C7H6Cl2	`benzal-chloride`
Benzaldehyde	100-52-7	C7H6O	`benzaldehyde`
Benzene	71-43-2	C6H6	`benzene`
Benzenesulfonyl Chloride	98-09-9	C6H5ClO2S	`benzenesulfonyl-chloride`
benzo[b]thiophen-2-ylboronic acid	98437-23-1	C8H7BO2S	`benzobthiophen-2-ylboronic-acid`
benzo[b]thiophen-3-yl acetate	24434-82-0	C10H8O2S	`benzobthiophen-3-yl-acetate`
Benzoguanamine	91-76-9	C9H9N5	`benzoguanamine`
Benzoic Acid	65-85-0	C7H6O2	`benzoic-acid`
Benzonitrile	100-47-0	C7H5N	`benzonitrile`
Benzothiadiazole	273-77-8	C6H4N2S	`benzothiadiazole`
Benzoyl Cyanide	613-90-1	C8H5NO	`benzoyl-cyanide`
Benzoylacetonitrile	614-16-4	C9H7NO	`benzoylacetonitrile`
Benzoylformic Acid	611-73-4	C8H6O3	`benzoylformic-acid`
Benzoylthiourea	614-23-3	C8H8N2OS	`benzoylthiourea`
Benzyl 2-bromoacetate	5437-45-6	C9H9BrO2	`benzyl-2-bromoacetate`
Benzyl 2-chloroethyl ether	17229-17-3	C9H11ClO	`benzyl-2-chloroethyl-ether`
Benzyl Acetate	140-11-4	C9H10O2	`benzyl-acetate`
Benzyl Alcohol	100-51-6	C7H8O	`benzyl-alcohol`
Benzyl Carbamate	621-84-1	C8H9NO2	`benzyl-carbamate`
Benzyl formate	104-57-4	C8H8O2	`benzyl-formate`
Benzyl monochloracetate	140-18-1	C9H9ClO2	`benzyl-monochloracetate`
Benzyl thiocyanate	3012-37-1	C8H7NS	`benzyl-thiocyanate`
Benzyldimethylamine	103-83-3	C9H13N	`benzyldimethylamine`
Benzylidenemalononitrile	2700-22-3	C10H6N2	`benzylidenemalononitrile`
Benzylmalonic acid	616-75-1	C10H10O4	`benzylmalonic-acid`
Benzylurea	538-32-9	C8H10N2O	`benzylurea`
beta-alanine	107-95-9	C3H7NO2	`beta-alanine`
beta-Butyrolactone	3068-88-0	C4H6O2	`beta-butyrolactone`
beta-D-Glucosamine	14257-69-3	C6H13NO5	`beta-d-glucosamine`
beta-Dichlorohydrin	616-23-9	C3H6Cl2O	`beta-dichlorohydrin`
beta-Tetralone	530-93-8	C10H10O	`beta-tetralone`
beta-Thujone	471-15-8	C10H16O	`beta-thujone`
Bicyclopentyl	1636-39-1	C10H18	`bicyclopentyl`
Biisobutyl	592-13-2	C8H18	`biisobutyl`
Biisopropenyl	513-81-5	C6H10	`biisopropenyl`
Bimethallyl	627-58-7	C8H14	`bimethallyl`
Bipyridine	366-18-7	C10H8N2	`bipyridine`
Bis(2-chloroethyl) carbonate	623-97-2	C5H8Cl2O3	`bis2-chloroethyl-carbonate`
Bis(2-Chloroethyl) Ether	111-44-4	C4H8Cl2O	`bis2-chloroethyl-ether`
Bis(2-ethoxyethyl)amine	124-21-0	C8H19NO2	`bis2-ethoxyethylamine`
Bis(2-mercaptoethyl) sulfide	3570-55-6	C4H10S3	`bis2-mercaptoethyl-sulfide`
Bis(2-trichloroethyl) chlorophosphonate	17672-53-6	C4H4Cl7O3P	`bis2-trichloroethyl-chlorophosphonate`
Bis(3-aminopropyl)methylamine	105-83-9	C7H19N3	`bis3-aminopropylmethylamine`
Bis(4-chlorobutyl) ether	6334-96-9	C8H16Cl2O	`bis4-chlorobutyl-ether`
Bis(chloromethyl) sulfide	3592-44-7	C2H4Cl2S	`bischloromethyl-sulfide`
Bis(chloromethyl)dimethylsilane	2917-46-6	C4H10Cl2Si	`bischloromethyldimethylsilane`
Bis(dimethyl(vinyl)silyl)amine	7691-02-3	C8H19NSi2	`bisdimethylvinylsilylamine`
Bis(methylthio)methane	1618-26-4	C3H8S2	`bismethylthiomethane`
Bis(trimethylsilyl)methane	2117-28-4	C7H20Si2	`bistrimethylsilylmethane`
Bis(vinylsulfonyl)methane	3278-22-6	C5H8O4S2	`bisvinylsulfonylmethane`
Bisvinyltetramethyldisiloxane	2627-95-4	C8H18OSi2	`bisvinyltetramethyldisiloxane`
Bitoscanate	4044-65-9	C8H4N2S2	`bitoscanate`
Bnpotxlwpzoesz-Rxmqykedsa-	60456-22-6	C6H11ClO2	`bnpotxlwpzoesz-rxmqykedsa`
Boron Methoxyethoxide	98958-21-5	C9H21BO6	`boron-methoxyethoxide`
Bromoacetic Acid	79-08-3	C2H3BrO2	`bromoacetic-acid`
Bromoacetyl chloride	22118-09-8	C2H2BrClO	`bromoacetyl-chloride`
Bromobenzene	108-86-1	C6H5Br	`bromobenzene`
Bromocyclohexane	108-85-0	C6H11Br	`bromocyclohexane`
Bromocyclooctane	1556-09-8	C8H15Br	`bromocyclooctane`
Bromocyclopropane	4333-56-6	C3H5Br	`bromocyclopropane`
bromodeoxyuridine (brdu)	59-14-3	C9H11BrN2O5	`bromodeoxyuridine-brdu`
Bromoethane	74-96-4	C2H5Br	`bromoethane`
Bromosuccinic acid	923-06-8	C4H5BrO4	`bromosuccinic-acid`
BTFMBzBr	32247-96-4	C9H5BrF6	`btfmbzbr`
But-2-ynal	1119-19-3	C4H4O	`but-2-ynal`
butane-2,3-dithiol	4532-64-3	C4H10S2	`butane-2-3-dithiol`
Butanetetracarboxylic acid	1703-58-8	C8H10O8	`butanetetracarboxylic-acid`
Butoxyacetic acid	2516-93-0	C6H12O3	`butoxyacetic-acid`
butyl 2-chloroacetate	590-02-3	C6H11ClO2	`butyl-2-chloroacetate`
Butyl 2-methylvalerate	6297-41-2	C10H20O2	`butyl-2-methylvalerate`
Butyl Benzenesulfonate	80-44-4	C10H14O3S	`butyl-benzenesulfonate`
Butyl carbamate	592-35-8	C5H11NO2	`butyl-carbamate`
Butyl chloroformate	592-34-7	C5H9ClO2	`butyl-chloroformate`
Butyl ether	142-96-1	C8H18O	`butyl-ether`
Butyl Ethyl Propane Diol (bepg)	115-84-4	C9H20O2	`butyl-ethyl-propane-diol-bepg`
Butyl isonicotinate	13841-66-2	C10H13NO2	`butyl-isonicotinate`

References & data sources

NMRShiftDB2 — open experimental NMR chemical shift database.
Steinbeck, C.; Kuhn, S. NMRShiftDB — nmrshiftdb.nmr.uni-koeln.de
Gottlieb, H. E.; Kotlyar, V.; Nudelman, A. NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities. J. Org. Chem. 1997, 62, 7512–7515.
Fulmer, G. R. et al. NMR Chemical Shifts of Trace Impurities. Organometallics 2010, 29, 2176–2179.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related tools: nmrdb.org (community NMR prediction reference).