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 1041–1120 of 1,285 · formula C5–C8 · page 14/17

Name	CAS	Formula	Slug
N-Isopropyltrimethylenediamine	3360-16-5	C6H16N2	`n-isopropyltrimethylenediamine`
N-Methyl-DL-aspartic acid	17833-53-3	C5H9NO4	`n-methyl-dl-aspartic-acid`
N-Methyl-m-toluidine	696-44-6	C8H11N	`n-methyl-m-toluidine`
N-Methyl-N-vinylacetamide	3195-78-6	C5H9NO	`n-methyl-n-vinylacetamide`
N-Methyl-o-toluidine	611-21-2	C8H11N	`n-methyl-o-toluidine`
N-Methyl-p-toluidine	623-08-5	C8H11N	`n-methyl-p-toluidine`
N-Methylbenzamide	613-93-4	C8H9NO	`n-methylbenzamide`
N-Methylbenzenesulfonamide	5183-78-8	C7H9NO2S	`n-methylbenzenesulfonamide`
N-Methyldiethanolamine	105-59-9	C5H13NO2	`n-methyldiethanolamine`
N-Methylfurfurylamine	4753-75-7	C6H9NO	`n-methylfurfurylamine`
N-Methylisobutylamine	625-43-4	C5H13N	`n-methylisobutylamine`
N-Methylmaleimide	930-88-1	C5H5NO2	`n-methylmaleimide`
N-Nitroso-N-methylaniline	614-00-6	C7H8N2O	`n-nitroso-n-methylaniline`
N-Nitrosodiisobutylamine	997-95-5	C8H18N2O	`n-nitrosodiisobutylamine`
N-Phenylethylenediamine	1664-40-0	C8H12N2	`n-phenylethylenediamine`
N-Phenylhydroxylamine	100-65-2	C6H7NO	`n-phenylhydroxylamine`
n-Propylcyclopentane	2040-96-2	C8H16	`n-propylcyclopentane`
N-tert-Butylformamide	2425-74-3	C5H11NO	`n-tert-butylformamide`
N-Vinyl-2-Pyrrolidone	88-12-0	C6H9NO	`n-vinyl-2-pyrrolidone`
N2-Acetyl-DL-lysine	24321-24-2	C8H16N2O3	`n2-acetyl-dl-lysine`
N4-Acetylcytosine	14631-20-0	C6H7N3O2	`n4-acetylcytosine`
Neohexene	558-37-2	C6H12	`neohexene`
Neopentyl glycol	126-30-7	C5H12O2	`neopentyl-glycol`
Nereistoxin	1631-58-9	C5H11NS2	`nereistoxin`
nicotinamide	98-92-0	C6H6N2O	`nicotinamide`
nicotinic acid	59-67-6	C6H5NO2	`nicotinic-acid`
Nicotinic acid hydrazide	553-53-7	C6H7N3O	`nicotinic-acid-hydrazide`
Nicotinuric acid	583-08-4	C8H8N2O3	`nicotinuric-acid`
Nitrobenzene	98-95-3	C6H5NO2	`nitrobenzene`
Nitrosobenzene	586-96-9	C6H5NO	`nitrosobenzene`
nutty pyrazine	23747-48-0	C8H10N2	`nutty-pyrazine`
O-((Aminoiminomethyl)amino)homoserine	13269-28-8	C5H12N4O3	`o-aminoiminomethylaminohomoserine`
o-Chlorophenethylic alcohol	19819-95-5	C8H9ClO	`o-chlorophenethylic-alcohol`
o-Cresol	95-48-7	C7H8O	`o-cresol`
o-Phenetidine	94-70-2	C8H11NO	`o-phenetidine`
O-Phenylenediamine	95-54-5	C6H8N2	`o-phenylenediamine`
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 isocyanate	614-68-6	C8H7NO	`o-tolyl-isocyanate`
o-Tolylurea	614-77-7	C8H10N2O	`o-tolylurea`
o-Xylene	95-47-6	C8H10	`o-xylene`
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`
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`
Orotic acid	65-86-1	C5H4N2O4	`orotic-acid`
Orotic acid methyl ester	6153-44-2	C6H6N2O4	`orotic-acid-methyl-ester`
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-Dimethoxybenzene	150-78-7	C8H10O2	`p-dimethoxybenzene`
p-Fluorobenzyl alcohol	459-56-3	C7H7FO	`p-fluorobenzyl-alcohol`
p-Phenetidine	156-43-4	C8H11NO	`p-phenetidine`
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-Xylidine	95-78-3	C8H11N	`p-xylidine`
p-Xylylenediamine	539-48-0	C8H12N2	`p-xylylenediamine`
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`
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`

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).