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.

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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 161–240 of 539 · formula C1–C4 · page 3/7

Name	CAS	Formula	Slug
5-Chloromethyloxazolidin-2-one	22625-57-6	C4H6ClNO2	`5-chloromethyloxazolidin-2-one`
5-Chlorothiophene-2-boronic acid	162607-18-3	C4H4BClO2S	`5-chlorothiophene-2-boronic-acid`
5-Mercapto-1-methyltetrazole	13183-79-4	C2H4N4S	`5-mercapto-1-methyltetrazole`
5-Methylhydantoin	616-03-5	C4H6N2O2	`5-methylhydantoin`
5-Methylisoxazole	5765-44-6	C4H5NO	`5-methylisoxazole`
6-Aza-2-thiothymine	615-76-9	C4H5N3OS	`6-aza-2-thiothymine`
6-Azathymine	932-53-6	C4H5N3O2	`6-azathymine`
6-Chlorouracil	4270-27-3	C4H3ClN2O2	`6-chlorouracil`
6-hydroxypyrimidin-4(3H)-one	1193-24-4	C4H4N2O2	`6-hydroxypyrimidin-43h-one`
acetaldehyde	75-07-0	C2H4O	`acetaldehyde`
acetamide	60-35-5	C2H5NO	`acetamide`
acetazolamide	59-66-5	C4H6N4O3S2	`acetazolamide`
Acethydrazide	1068-57-1	C2H6N2O	`acethydrazide`
Acetic Acid	64-19-7	C2H4O2	`acetic-acid`
Acetic thioanhydride	3232-39-1	C4H6O2S	`acetic-thioanhydride`
Acetoguanamine	542-02-9	C4H7N5	`acetoguanamine`
Acetone	67-64-1	C3H6O	`acetone`
Acetone Cyanohydrin	75-86-5	C4H7NO	`acetone-cyanohydrin`
Acetonitrile	75-05-8	C2H3N	`acetonitrile`
Acetyl Iodide	507-02-8	C2H3IO	`acetyl-iodide`
acetyl phosphate	590-54-5	C2H5O5P	`acetyl-phosphate`
Acetylene tetrabromide	79-27-6	C2H2Br4	`acetylene-tetrabromide`
Acrolein	107-02-8	C3H4O	`acrolein`
Acrylamide	79-06-1	C3H5NO	`acrylamide`
Acrylic Acid	79-10-7	C3H4O2	`acrylic-acid`
allantoin	97-59-6	C4H6N4O3	`allantoin`
Allergosil	110-04-3	C2H6O6S2	`allergosil`
Allyl Alcohol	107-18-6	C3H6O	`allyl-alcohol`
Allyl Bromide	106-95-6	C3H5Br	`allyl-bromide`
Allyl Chloroformate	2937-50-0	C4H5ClO2	`allyl-chloroformate`
Allyl Formate	1838-59-1	C4H6O2	`allyl-formate`
Allyl Iodide	556-56-9	C3H5I	`allyl-iodide`
Allyl Mercaptan	870-23-5	C3H6S	`allyl-mercaptan`
Allylurea	557-11-9	C4H8N2O	`allylurea`
alpha-Butylene dibromide	533-98-2	C4H8Br2	`alpha-butylene-dibromide`
Aminoacetaldehyde dimethyl acetal	22483-09-6	C4H11NO2	`aminoacetaldehyde-dimethyl-acetal`
aminopyridazine	5469-70-5	C4H5N3	`aminopyridazine`
Aminothiadiazole	4005-51-0	C2H3N3S	`aminothiadiazole`
Ampd	115-69-5	C4H11NO2	`ampd`
Barbituric Acid	67-52-7	C4H4N2O3	`barbituric-acid`
beta-alanine	107-95-9	C3H7NO2	`beta-alanine`
beta-Butyrolactone	3068-88-0	C4H6O2	`beta-butyrolactone`
beta-Dichlorohydrin	616-23-9	C3H6Cl2O	`beta-dichlorohydrin`
Bis(2-Chloroethyl) Ether	111-44-4	C4H8Cl2O	`bis2-chloroethyl-ether`
Bis(2-mercaptoethyl) sulfide	3570-55-6	C4H10S3	`bis2-mercaptoethyl-sulfide`
Bis(2-trichloroethyl) chlorophosphonate	17672-53-6	C4H4Cl7O3P	`bis2-trichloroethyl-chlorophosphonate`
Bis(chloromethyl) sulfide	3592-44-7	C2H4Cl2S	`bischloromethyl-sulfide`
Bis(chloromethyl)dimethylsilane	2917-46-6	C4H10Cl2Si	`bischloromethyldimethylsilane`
Bis(methylthio)methane	1618-26-4	C3H8S2	`bismethylthiomethane`
Bromoacetic Acid	79-08-3	C2H3BrO2	`bromoacetic-acid`
Bromoacetyl chloride	22118-09-8	C2H2BrClO	`bromoacetyl-chloride`
Bromocyclopropane	4333-56-6	C3H5Br	`bromocyclopropane`
Bromoethane	74-96-4	C2H5Br	`bromoethane`
Bromosuccinic acid	923-06-8	C4H5BrO4	`bromosuccinic-acid`
But-2-ynal	1119-19-3	C4H4O	`but-2-ynal`
butane-2,3-dithiol	4532-64-3	C4H10S2	`butane-2-3-dithiol`
Butyl nitrite	544-16-1	C4H9NO2	`butyl-nitrite`
Butylamine	109-73-9	C4H11N	`butylamine`
butyraldehyde	123-72-8	C4H8O	`butyraldehyde`
Butyramide	541-35-5	C4H9NO	`butyramide`
Butyric Acid	107-92-6	C4H8O2	`butyric-acid`
cacodylic acid	75-60-5	C2H7AsO2	`cacodylic-acid`
Carbon Disulfide	75-15-0	CS2	`carbon-disulfide`
Caswell No. 287B	4554-16-9	C3H3Br2N	`caswell-no-287b`
Caswell No. 561	1729-67-5	C4H6Br2O2	`caswell-no-561`
Chloral	75-87-6	C2HCl3O	`chloral`
Chloro(chloromethyl)dimethylsilane	1719-57-9	C3H8Cl2Si	`chlorochloromethyldimethylsilane`
Chloroacetaldehyde dimethyl acetal	97-97-2	C4H9ClO2	`chloroacetaldehyde-dimethyl-acetal`
chloroacetic acid	79-11-8	C2H3ClO2	`chloroacetic-acid`
Chloroacetic anhydride	541-88-8	C4H4Cl2O3	`chloroacetic-anhydride`
Chloroacetone	78-95-5	C3H5ClO	`chloroacetone`
Chlorobutanol	57-15-8	C4H7Cl3O	`chlorobutanol`
Chloroethylene carbonate	3967-54-2	C3H3ClO3	`chloroethylene-carbonate`
Chloroform	67-66-3	CHCl3	`chloroform`
Chloromaleic acid anhydride	96-02-6	C4HClO3	`chloromaleic-acid-anhydride`
Chloromethyl Ethyl Ether	3188-13-4	C3H7ClO	`chloromethyl-ethyl-ether`
Chloromethyl Methyl Ether	107-30-2	C2H5ClO	`chloromethyl-methyl-ether`
Chloromethyl methyl sulfide	2373-51-5	C2H5ClS	`chloromethyl-methyl-sulfide`
creatine	57-00-1	C4H9N3O2	`creatine`
Creatinephosphate	67-07-2	C4H10N3O5P	`creatinephosphate`

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).