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 2321–2400 of 2,593 · all compounds · page 30/33

Name	CAS	Formula	Slug
Purine	120-73-0	C5H4N4	`purine`
putrescine	110-60-1	C4H12N2	`putrescine`
pyrazinamide	98-96-4	C5H5N3O	`pyrazinamide`
Pyrazine-2-carboxylic acid	98-97-5	C5H4N2O2	`pyrazine-2-carboxylic-acid`
Pyridine	110-86-1	C5H5N	`pyridine`
pyridoxal	66-72-8	C8H9NO3	`pyridoxal`
pyridoxal phosphate	54-47-7	C8H10NO6P	`pyridoxal-phosphate`
pyridoxamine	85-87-0	C8H12N2O2	`pyridoxamine`
pyridoxamine phosphate	529-96-4	C8H13N2O5P	`pyridoxamine-phosphate`
pyridoxine	65-23-6	C8H11NO3	`pyridoxine`
pyrithione	1121-30-8	C5H5NOS	`pyrithione`
Pyrocatechol ethylene ether	493-09-4	C8H8O2	`pyrocatechol-ethylene-ether`
Pyrogallol trimethyl ether	634-36-6	C9H12O3	`pyrogallol-trimethyl-ether`
Pyromellitic Acid	89-05-4	C10H6O8	`pyromellitic-acid`
Pyromellitic Dianhydride	89-32-7	C10H2O6	`pyromellitic-dianhydride`
Pyromellitic diimide	2550-73-4	C10H4N2O4	`pyromellitic-diimide`
Pyrrole	109-97-7	C4H5N	`pyrrole`
Pyrrole-3-carboxaldehyde	7126-39-8	C5H5NO	`pyrrole-3-carboxaldehyde`
Pyrrolidine	123-75-1	C4H9N	`pyrrolidine`
Pyruvic acid	127-17-3	C3H4O3	`pyruvic-acid`
Quinoline-3-boronic Acid	191162-39-7	C9H8BNO2	`quinoline-3-boronic-acid`
Quinoline-4-carbaldehyde	4363-93-3	C10H7NO	`quinoline-4-carbaldehyde`
Quinoline-6-carboxylic acid	10349-57-2	C10H7NO2	`quinoline-6-carboxylic-acid`
quinolinic acid	89-00-9	C7H5NO4	`quinolinic-acid`
Racepinephrine	329-65-7	C9H13NO3	`racepinephrine`
RCRA waste number U082	87-65-0	C6H4Cl2O	`rcra-waste-number-u082`
RCRA waste number U208	630-20-6	C2H2Cl4	`rcra-waste-number-u208`
resorcinol	108-46-3	C6H6O2	`resorcinol`
Risocaine	94-12-2	C10H13NO2	`risocaine`
S acid	83-64-7	C10H9NO4S	`s-acid`
S-Acetylmercaptosuccinic anhydride	6953-60-2	C6H6O4S	`s-acetylmercaptosuccinic-anhydride`
S-Ethyl trifluorothioacetate	383-64-2	C4H5F3OS	`s-ethyl-trifluorothioacetate`
S-methyl-thioglycerol	22551-26-4	C4H10O2S	`s-methyl-thioglycerol`
S-Phenyl thioacetate	934-87-2	C8H8OS	`s-phenyl-thioacetate`
s-Tetrachloroethane	79-34-5	C2H2Cl4	`s-tetrachloroethane`
s-Trichlorobenzene	108-70-3	C6H3Cl3	`s-trichlorobenzene`
s-Trithiane	291-21-4	C3H6S3	`s-trithiane`
sarcosine	107-97-1	C3H7NO2	`sarcosine`
sec-Butyl Disulfide	5943-30-6	C8H18S2	`sec-butyl-disulfide`
sec-Butyl ether	6863-58-7	C8H18O	`sec-butyl-ether`
Sec-Butylamine	13952-84-6	C4H11N	`sec-butylamine`
Sec-Butylbenzene	135-98-8	C10H14	`sec-butylbenzene`
Selenomethionine	1464-42-2	C5H11NO2Se	`selenomethionine`
Senecioic acid	541-47-9	C5H8O2	`senecioic-acid`
serotonin	50-67-9	C10H12N2O	`serotonin`
spermine	71-44-3	C10H26N4	`spermine`
Styrene	100-42-5	C8H8	`styrene`
Styrene oxide	96-09-3	C8H8O	`styrene-oxide`
succinic acid	110-15-6	C4H6O4	`succinic-acid`
Succinic dihydrazide	4146-43-4	C4H10N4O2	`succinic-dihydrazide`
Succinonitrile	110-61-2	C4H4N2	`succinonitrile`
Succinyl Chloride	543-20-4	C4H4Cl2O2	`succinyl-chloride`
Succinylnitrile	63979-84-0	C6H4N2O2	`succinylnitrile`
sulfamethoxazole	723-46-6	C10H11N3O3S	`sulfamethoxazole`
sulfanilamide	63-74-1	C6H8N2O2S	`sulfanilamide`
Sulfanilic Acid	121-57-3	C6H7NO3S	`sulfanilic-acid`
Sulfoacetic Acid	123-43-3	C2H4O5S	`sulfoacetic-acid`
Surfynol 72	19549-98-5	C9H16O	`surfynol-72`
Surfynol 82	78-66-0	C10H18O2	`surfynol-82`
Swep	1918-18-9	C8H7Cl2NO2	`swep`
sym-Dichloroacetone	534-07-6	C3H4Cl2O	`sym-dichloroacetone`
sym-Dimethylthiourea	61805-96-7	C3H8N2S	`sym-dimethylthiourea`
sym-Dimethylurea	96-31-1	C3H8N2O	`sym-dimethylurea`
Sym-glycerol dichlorohydrin	96-23-1	C3H6Cl2O	`sym-glycerol-dichlorohydrin`
Sym-m-xylenol	108-68-9	C8H10O	`sym-m-xylenol`
Syringaldehyde	134-96-3	C9H10O4	`syringaldehyde`
Tdbpp	126-72-7	C9H15Br6O4P	`tdbpp`
Tdcpp	13674-87-8	C9H15Cl6O4P	`tdcpp`
Tellurophene	288-08-4	C4H4Te	`tellurophene`
Temed	110-18-9	C6H16N2	`temed`
Terephthalonitrile	623-26-7	C8H4N2	`terephthalonitrile`
Terpinolene	586-62-9	C10H16	`terpinolene`
tert-Amylamine	594-39-8	C5H13N	`tert-amylamine`
tert-Butanol	75-65-0	C4H10O	`tert-butanol`
tert-Butyl 2-bromopropanoate	39149-80-9	C7H13BrO2	`tert-butyl-2-bromopropanoate`
tert-Butyl 3-butenoate	14036-55-6	C8H14O2	`tert-butyl-3-butenoate`
tert-Butyl acrylate	1663-39-4	C7H12O2	`tert-butyl-acrylate`
tert-Butyl carbamate	4248-19-5	C5H11NO2	`tert-butyl-carbamate`
tert-Butyl cyanoacetate	1116-98-9	C7H11NO2	`tert-butyl-cyanoacetate`
tert-Butyl ethyl ether	637-92-3	C6H14O	`tert-butyl-ethyl-ether`

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).