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 1841–1920 of 2,593 · all compounds · page 24/33

Name	CAS	Formula	Slug
Isobutyl mercaptan	513-44-0	C4H10S	`isobutyl-mercaptan`
Isobutyl methacrylate	97-86-9	C8H14O2	`isobutyl-methacrylate`
Isobutyl sulfide	592-65-4	C8H18S	`isobutyl-sulfide`
Isobutylene bromide	594-34-3	C4H8Br2	`isobutylene-bromide`
Isobutylene oxide	558-30-5	C4H8O	`isobutylene-oxide`
Isobutyltrichlorosilane	18169-57-8	C4H9Cl3Si	`isobutyltrichlorosilane`
Isobutyraldehyde	78-84-2	C4H8O	`isobutyraldehyde`
Isobutyric Acid	79-31-2	C4H8O2	`isobutyric-acid`
Isocapronitrile	542-54-1	C6H11N	`isocapronitrile`
isocitric acid	320-77-4	C6H8O7	`isocitric-acid`
Isoindoline	496-12-8	C8H9N	`isoindoline`
isoniazid	54-85-3	C6H7N3O	`isoniazid`
Isonicoteine	581-50-0	C10H8N2	`isonicoteine`
Isonicotinic Acid	55-22-1	C6H5NO2	`isonicotinic-acid`
Isononylaldehyde	5435-64-3	C9H18O	`isononylaldehyde`
Isopentyldiol	2568-33-4	C5H12O2	`isopentyldiol`
Isophorone	78-59-1	C9H14O	`isophorone`
Isophorone Diamine	2855-13-2	C10H22N2	`isophorone-diamine`
Isophthalaldehyde	626-19-7	C8H6O2	`isophthalaldehyde`
Isophthalamide	1740-57-4	C8H8N2O2	`isophthalamide`
Isophthalic Acid	121-91-5	C8H6O4	`isophthalic-acid`
Isophthalonitrile	626-17-5	C8H4N2	`isophthalonitrile`
Isopral	76-00-6	C3H5Cl3O	`isopral`
Isoprene	78-79-5	C5H8	`isoprene`
Isopropanol	67-63-0	C3H8O	`isopropanol`
Isopropenyl acetate	108-22-5	C5H8O2	`isopropenyl-acetate`
Isopropenylcyclopropane	4663-22-3	C6H10	`isopropenylcyclopropane`
Isopropyl Acetate	108-21-4	C5H10O2	`isopropyl-acetate`
Isopropyl Carbamate	1746-77-6	C4H9NO2	`isopropyl-carbamate`
Isopropyl Chloroacetate	105-48-6	C5H9ClO2	`isopropyl-chloroacetate`
Isopropyl chloroformate	108-23-6	C4H7ClO2	`isopropyl-chloroformate`
Isopropyl cyclohexanecarboxylate	6553-80-6	C10H18O2	`isopropyl-cyclohexanecarboxylate`
Isopropyl Formate	625-55-8	C4H8O2	`isopropyl-formate`
Isopropyl Isobutyrate	617-50-5	C7H14O2	`isopropyl-isobutyrate`
Isopropyl isocyanate	1795-48-8	C4H7NO	`isopropyl-isocyanate`
Isopropyl n-Propyl Sulfide	5008-73-1	C6H14S	`isopropyl-n-propyl-sulfide`
Isopropyl Propionate	637-78-5	C6H12O2	`isopropyl-propionate`
Isopropyl Vinyl Ether	926-65-8	C5H10O	`isopropyl-vinyl-ether`
Isopropylcyclohexane	696-29-7	C9H18	`isopropylcyclohexane`
Isopropylethanediol	109-59-1	C5H12O2	`isopropylethanediol`
Isoquinoline-1-carboxylic acid	486-73-7	C10H7NO2	`isoquinoline-1-carboxylic-acid`
Isoquinoline-3-carboxylic Acid	6624-49-3	C10H7NO2	`isoquinoline-3-carboxylic-acid`
Isothiochroman	4426-75-9	C9H10S	`isothiochroman`
Isovaleric Acid	503-74-2	C5H10O2	`isovaleric-acid`
Isovaleric anhydride	1468-39-9	C10H18O3	`isovaleric-anhydride`
Isovaleryl chloride	108-12-3	C5H9ClO	`isovaleryl-chloride`
Isovanillin	621-59-0	C8H8O3	`isovanillin`
Itaconic acid	97-65-4	C5H6O4	`itaconic-acid`
Itaconic anhydride	25300-97-4	C5H4O3	`itaconic-anhydride`
Jeffcat Zf 10	83016-70-0	C9H22N2O2	`jeffcat-zf-10`
Kusol	635-46-1	C9H11N	`kusol`
kynurenic acid	492-27-3	C10H7NO3	`kynurenic-acid`
Kyowanoic n	3302-10-1	C9H18O2	`kyowanoic-n`
L-arginine	74-79-3	C6H14N4O2	`l-arginine`
l-Menthol	2216-51-5	C10H20O	`l-menthol`
lactic acid	50-21-5	C3H6O3	`lactic-acid`
Lanthionamine	871-76-1	C4H12N2S	`lanthionamine`
Lastar A	2403-88-5	C9H19NO	`lastar-a`
Lawsone	83-72-7	C10H6O3	`lawsone`
Lepidine	491-35-0	C10H9N	`lepidine`
Levulinic Acid	123-76-2	C5H8O3	`levulinic-acid`
Limonene oxide	1195-92-2	C10H16O	`limonene-oxide`
Linalool	78-70-6	C10H18O	`linalool-2`
Linuron	330-55-2	C9H10Cl2N2O2	`linuron`
lipoamide	940-69-2	C8H15NOS2	`lipoamide`
Lumazine	487-21-8	C6H4N4O2	`lumazine`
Luminol	521-31-3	C8H7N3O2	`luminol`
Lysidine	534-26-9	C4H8N2	`lysidine`
m-Bis(2-hydroxyethoxy)benzene	102-40-9	C10H14O4	`m-bis2-hydroxyethoxybenzene`
m-Bromopropiophenone	19829-31-3	C9H9BrO	`m-bromopropiophenone`
m-Cresol	108-39-4	C7H8O	`m-cresol`
m-Dibromobenzene	108-36-1	C6H4Br2	`m-dibromobenzene`
m-Dichloroaniline	626-43-7	C6H5Cl2N	`m-dichloroaniline`
m-Diethoxybenzene	2049-73-2	C10H14O2	`m-diethoxybenzene`
m-Diethylbenzene	141-93-5	C10H14	`m-diethylbenzene`
M-Diethynylbenzene	1785-61-1	C10H6	`m-diethynylbenzene`
m-Fluorosulfonylbenzenesulfonyl chloride	2489-52-3	C6H4ClFO4S2	`m-fluorosulfonylbenzenesulfonyl-chloride`
m-Phenylenediacetic acid	19806-17-8	C10H10O4	`m-phenylenediacetic-acid`
m-Phenylenediamine	108-45-2	C6H8N2	`m-phenylenediamine`
m-Tolunitrile	620-22-4	C8H7N	`m-tolunitrile`

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).