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 2161–2240 of 2,593 · all compounds · page 28/33

Name	CAS	Formula	Slug
o-Phenetidine	94-70-2	C8H11NO	`o-phenetidine`
O-Phenylenediamine	95-54-5	C6H8N2	`o-phenylenediamine`
O-phosphonothreonine	27530-80-9	C4H10NO6P	`o-phosphonothreonine`
O-Phosphorylethanolamine	1071-23-4	C2H8NO4P	`o-phosphorylethanolamine`
o-Phthalaldehyde	643-79-8	C8H6O2	`o-phthalaldehyde`
O-Toluic Acid	118-90-1	C8H8O2	`o-toluic-acid`
o-Tolunitrile	529-19-1	C8H7N	`o-tolunitrile`
o-Toluoyl chloride	933-88-0	C8H7ClO	`o-toluoyl-chloride`
o-Tolyl acetate	533-18-6	C9H10O2	`o-tolyl-acetate`
o-Tolyl isocyanate	614-68-6	C8H7NO	`o-tolyl-isocyanate`
o-Tolylacetic acid	644-36-0	C9H10O2	`o-tolylacetic-acid`
o-Tolylbiguanide	93-69-6	C9H13N5	`o-tolylbiguanide`
o-Tolylurea	614-77-7	C8H10N2O	`o-tolylurea`
o-Veratramide	1521-39-7	C9H11NO3	`o-veratramide`
o-Xylene	95-47-6	C8H10	`o-xylene`
o-Xylene-4-carboxylic Acid	619-04-5	C9H10O2	`o-xylene-4-carboxylic-acid`
o-Xylylene dibromide	91-13-4	C8H8Br2	`o-xylylene-dibromide`
Octamethylcyclotetrasiloxane	556-67-2	C8H24O4Si4	`octamethylcyclotetrasiloxane`
Octamethyltrisiloxane	107-51-7	C8H24O2Si3	`octamethyltrisiloxane`
Octanal	124-13-0	C8H16O	`octanal`
Octanal dimethyl acetal	10022-28-3	C10H22O2	`octanal-dimethyl-acetal`
Octane	111-65-9	C8H18	`octane`
Octanedioic acid	505-48-6	C8H14O4	`octanedioic-acid`
Octanohydroxamic Acid	7377-03-9	C8H17NO2	`octanohydroxamic-acid`
octanoic acid	124-07-2	C8H16O2	`octanoic-acid`
Octodrine	543-82-8	C8H19N	`octodrine`
Octyl chloroformate	7452-59-7	C9H17ClO2	`octyl-chloroformate`
Orotic acid	65-86-1	C5H4N2O4	`orotic-acid`
Orotic acid methyl ester	6153-44-2	C6H6N2O4	`orotic-acid-methyl-ester`
ortho-diacetylbenzene	704-00-7	C10H10O2	`ortho-diacetylbenzene`
Oxetane	503-30-0	C3H6O	`oxetane`
p-Aminophenylmercuric acetate	6283-24-5	C8H9HgNO2	`p-aminophenylmercuric-acetate`
p-benzoquinone	106-51-4	C6H4O2	`p-benzoquinone`
p-Chloro-2-chloroacetophenone	2234-16-4	C8H6Cl2O	`p-chloro-2-chloroacetophenone`
p-Chlorophenoxyacetyl chloride	4122-68-3	C8H6Cl2O2	`p-chlorophenoxyacetyl-chloride`
p-Cresol	106-44-5	C7H8O	`p-cresol`
P-Cymene	99-87-6	C10H14	`p-cymene`
p-Diacetylbenzene	1009-61-6	C10H10O2	`p-diacetylbenzene`
p-Dimethoxybenzene	150-78-7	C8H10O2	`p-dimethoxybenzene`
p-Dithiane	505-29-3	C4H8S2	`p-dithiane`
p-Fluorobenzyl alcohol	459-56-3	C7H7FO	`p-fluorobenzyl-alcohol`
p-Menth-1-en-9-ol	18479-68-0	C10H18O	`p-menth-1-en-9-ol`
p-Menth-4(8)-en-3-one	15932-80-6	C10H16O	`p-menth-48-en-3-one`
p-Menthan-3-one	10458-14-7	C10H18O	`p-menthan-3-one`
p-Methylphenethylamine	3261-62-9	C9H13N	`p-methylphenethylamine`
p-Methyltetrahydroquinoline	91-61-2	C10H13N	`p-methyltetrahydroquinoline`
p-Phenetidine	156-43-4	C8H11NO	`p-phenetidine`
p-Phenylenediacetamide	140-50-1	C10H12N2O2	`p-phenylenediacetamide`
p-Phenylenediacetic acid	7325-46-4	C10H10O4	`p-phenylenediacetic-acid`
p-Phenylenediacetonitrile	622-75-3	C10H8N2	`p-phenylenediacetonitrile`
p-Propionotoluidide	2759-55-9	C10H13NO	`p-propionotoluidide`
p-Tolualdehyde	104-87-0	C8H8O	`p-tolualdehyde`
p-TOLUENESULFONYL FLUORIDE	455-16-3	C7H7FO2S	`p-toluenesulfonyl-fluoride`
p-Tolunitrile	104-85-8	C8H7N	`p-tolunitrile`
p-Xylene	106-42-3	C8H10	`p-xylene`
p-Xylene Glycol Dimethyl Ether	6770-38-3	C10H14O2	`p-xylene-glycol-dimethyl-ether`
p-Xylidine	95-78-3	C8H11N	`p-xylidine`
p-Xylylenediamine	539-48-0	C8H12N2	`p-xylylenediamine`
pemoline	2152-34-3	C9H8N2O2	`pemoline`
Pempidine	79-55-0	C10H21N	`pempidine`
Pennzone B	109-46-6	C9H20N2S	`pennzone-b`
Pentachloroethane	76-01-7	C2HCl5	`pentachloroethane`
Pentachlorothioanisole	1825-19-0	C7H3Cl5S	`pentachlorothioanisole`
Pentaerythritol dibromide	3296-90-0	C5H10Br2O2	`pentaerythritol-dibromide`
Pentaerythritol tribromide	1522-92-5	C5H9Br3O	`pentaerythritol-tribromide`
Pentaerythrityl tetrachloride	3228-99-7	C5H8Cl4	`pentaerythrityl-tetrachloride`
Pentamethyldiethylenetriamine	3030-47-5	C9H23N3	`pentamethyldiethylenetriamine`
Pentamethylene chloride	628-76-2	C5H10Cl2	`pentamethylene-chloride`
Pentamethylene glycol	111-29-5	C5H12O2	`pentamethylene-glycol`
Pentanamide	626-97-1	C5H11NO	`pentanamide`
Pentane	109-66-0	C5H12	`pentane`
Pentitol	6917-36-8	C5H12O5	`pentitol`
Penton	78-71-7	C5H8Cl2O	`penton`
Pentopyranose	1132639-46-3	C5H10O5	`pentopyranose`
Pentyl formate	638-49-3	C6H12O2	`pentyl-formate`
Pentylcyclopentane	3741-00-2	C10H20	`pentylcyclopentane`
Pentylcyclopropane	2511-91-3	C8H16	`pentylcyclopropane`
Pentylene glycol	5343-92-0	C5H12O2	`pentylene-glycol`
Perfluoro-tert-butyl alcohol	2378-02-1	C4HF9O	`perfluoro-tert-butyl-alcohol`
Perillaldehyde	2111-75-3	C10H14O	`perillaldehyde`

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).