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 641–720 of 1,285 · formula C5–C8 · page 9/17

Name	CAS	Formula	Slug
Abbott 31699	23567-67-1	C7H6N4OS	`abbott-31699`
Accelerine	138-89-6	C8H10N2O	`accelerine`
acetaminophen	103-90-2	C8H9NO2	`acetaminophen`
Acetone diethyl ketal	126-84-1	C7H16O2	`acetone-diethyl-ketal`
Acetone dimethyl acetal	77-76-9	C5H12O2	`acetone-dimethyl-acetal`
Acetonylacetone	110-13-4	C6H10O2	`acetonylacetone`
Acetophenone	98-86-2	C8H8O	`acetophenone`
Acetylacetaldehyde dimethyl acetal	5436-21-5	C6H12O3	`acetylacetaldehyde-dimethyl-acetal`
adenine	73-24-5	C5H5N5	`adenine`
adipic acid	124-04-9	C6H10O4	`adipic-acid`
agmatine	306-60-5	C5H14N4	`agmatine`
Allyl acetate	591-87-7	C5H8O2	`allyl-acetate`
Allyl chloroacetate	2916-14-5	C5H7ClO2	`allyl-chloroacetate`
Allyl Ethyl Carbonate	1469-70-1	C6H10O3	`allyl-ethyl-carbonate`
Allyl Glycidyl Ether	106-92-3	C6H10O2	`allyl-glycidyl-ether`
Allyl methyl carbonate	35466-83-2	C5H8O3	`allyl-methyl-carbonate`
alpha-D-glucosamine	6490-70-6	C6H13NO5	`alpha-d-glucosamine`
Aminoacetaldehyde diethyl acetal	645-36-3	C6H15NO2	`aminoacetaldehyde-diethyl-acetal`
Aminohydroquinone dimethyl ether	102-56-7	C8H11NO2	`aminohydroquinone-dimethyl-ether`
Amyl methyl sulfide	1741-83-9	C6H14S	`amyl-methyl-sulfide`
Amylamine	110-58-7	C5H13N	`amylamine`
an inositol	87-89-8	C6H12O6	`an-inositol`
Aniline	62-53-3	C6H7N	`aniline`
Anisole	100-66-3	C7H8O	`anisole`
Asym-O-Xylenol	95-65-8	C8H10O	`asym-o-xylenol`
azepan-2-one	105-60-2	C6H11NO	`azepan-2-one`
Azobase DCA	95-82-9	C6H5Cl2N	`azobase-dca`
Azocane	1121-92-2	C7H15N	`azocane`
barbital	57-44-3	C8H12N2O3	`barbital`
bemegride	64-65-3	C8H13NO2	`bemegride`
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`
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`
Benzoylformic Acid	611-73-4	C8H6O3	`benzoylformic-acid`
Benzoylthiourea	614-23-3	C8H8N2OS	`benzoylthiourea`
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 thiocyanate	3012-37-1	C8H7NS	`benzyl-thiocyanate`
Benzylurea	538-32-9	C8H10N2O	`benzylurea`
beta-D-Glucosamine	14257-69-3	C6H13NO5	`beta-d-glucosamine`
Biisobutyl	592-13-2	C8H18	`biisobutyl`
Biisopropenyl	513-81-5	C6H10	`biisopropenyl`
Bimethallyl	627-58-7	C8H14	`bimethallyl`
Bis(2-chloroethyl) carbonate	623-97-2	C5H8Cl2O3	`bis2-chloroethyl-carbonate`
Bis(2-ethoxyethyl)amine	124-21-0	C8H19NO2	`bis2-ethoxyethylamine`
Bis(3-aminopropyl)methylamine	105-83-9	C7H19N3	`bis3-aminopropylmethylamine`
Bis(4-chlorobutyl) ether	6334-96-9	C8H16Cl2O	`bis4-chlorobutyl-ether`
Bis(dimethyl(vinyl)silyl)amine	7691-02-3	C8H19NSi2	`bisdimethylvinylsilylamine`
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`
Bromobenzene	108-86-1	C6H5Br	`bromobenzene`
Bromocyclohexane	108-85-0	C6H11Br	`bromocyclohexane`
Bromocyclooctane	1556-09-8	C8H15Br	`bromocyclooctane`
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 carbamate	592-35-8	C5H11NO2	`butyl-carbamate`
Butyl chloroformate	592-34-7	C5H9ClO2	`butyl-chloroformate`
Butyl ether	142-96-1	C8H18O	`butyl-ether`
Butyl Methacrylate	97-88-1	C8H14O2	`butyl-methacrylate`
Butyl thioglycolate	10047-28-6	C6H12O2S	`butyl-thioglycolate`
Butylene carbonate	4437-85-8	C5H8O3	`butylene-carbonate`
cadaverine	462-94-2	C5H14N2	`cadaverine`
caffeine	58-08-2	C8H10N4O2	`caffeine`
Carzenide	138-41-0	C7H7NO4S	`carzenide`
catechol	120-80-9	C6H6O2	`catechol`
Chelidonic acid	99-32-1	C7H4O6	`chelidonic-acid`
Chloraminophenamide	121-30-2	C6H8ClN3O4S2	`chloraminophenamide`
Chloroacetaldehyde diethyl acetal	621-62-5	C6H13ClO2	`chloroacetaldehyde-diethyl-acetal`
Chlorobenzene	108-90-7	C6H5Cl	`chlorobenzene`

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).