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 1–39 of 39 · letter O · page 1/1

Name	CAS	Formula	Slug
O-((Aminoiminomethyl)amino)homoserine	13269-28-8	C5H12N4O3	`o-aminoiminomethylaminohomoserine`
o-(Allyloxy)anisole	4125-43-3	C10H12O2	`o-allyloxyanisole`
O-Acetylmandelic acid	5438-68-6	C10H10O4	`o-acetylmandelic-acid`
o-Chlorophenethylic alcohol	19819-95-5	C8H9ClO	`o-chlorophenethylic-alcohol`
o-Cresol	95-48-7	C7H8O	`o-cresol`
o-Diethoxybenzene	2050-46-6	C10H14O2	`o-diethoxybenzene`
o-Dithiane	505-20-4	C4H8S2	`o-dithiane`
O-Methylhydroxylamine	67-62-9	CH5NO	`o-methylhydroxylamine`
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`

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).