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 1–80 of 83 · letter I · page 1/2

Name	CAS	Formula	Slug
Ibuprofen	15687-27-1	C13H18O2	`ibuprofen`
Ifnwesyydinuhv-Olqvqodusa-n	108-49-6	C6H14N2	`ifnwesyydinuhv-olqvqodusa-n`
Imidazole	288-32-4	C3H4N2	`imidazole`
imidazolidine-2-thione	96-45-7	C3H6N2S	`imidazolidine-2-thione`
Iminodiacetic Acid	142-73-4	C4H7NO4	`iminodiacetic-acid`
Iminodiacetonitrile	628-87-5	C4H5N3	`iminodiacetonitrile`
InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H	2219-66-1	C4H4Br2	`inchi1c4h4br2c5-3-1-2-4-6h3-4h`
Indene	95-13-6	C9H8	`indene`
indole	120-72-9	C8H7N	`indole`
Indole-2-carboxylic acid	1477-50-5	C9H7NO2	`indole-2-carboxylic-acid`
indole-3-acetamide	879-37-8	C10H10N2O	`indole-3-acetamide`
indole-3-acetic acid	87-51-4	C10H9NO2	`indole-3-acetic-acid`
Indole-3-Carboxaldehyde	487-89-8	C9H7NO	`indole-3-carboxaldehyde`
Indole-3-lactic acid	1821-52-9	C11H11NO3	`indole-3-lactic-acid`
Indole-5-carboxaldehyde	1196-69-6	C9H7NO	`indole-5-carboxaldehyde`
Indoline	496-15-1	C8H9N	`indoline`
inosine	58-63-9	C10H12N4O5	`inosine`
Iodobenzene	591-50-4	C6H5I	`iodobenzene`
Iodoethane	75-03-6	C2H5I	`iodoethane`
iodoquinol	83-73-8	C9H5I2NO	`iodoquinol`
IPTG (dioxane free)	936550-10-6	C9H18O5S	`iptg-dioxane-free`
Isethionic Acid	107-36-8	C2H6O4S	`isethionic-acid`
Isoamyl alcohol	123-51-3	C5H12O	`isoamyl-alcohol`
Isoamyl butyrate	106-27-4	C9H18O2	`isoamyl-butyrate`
Isoamyl isobutyrate	2050-01-3	C9H18O2	`isoamyl-isobutyrate`
Isoamyl Isovalerate	659-70-1	C10H20O2	`isoamyl-isovalerate`
Isoamyl lactate	19329-89-6	C8H16O3	`isoamyl-lactate`
Isoamylamine	107-85-7	C5H13N	`isoamylamine`
Isobutanol	78-83-1	C4H10O	`isobutanol`
Isobutyl 2-methylvalerate	6297-42-3	C10H20O2	`isobutyl-2-methylvalerate`
Isobutyl Acetate	110-19-0	C6H12O2	`isobutyl-acetate`
Isobutyl acetoacetate	7779-75-1	C8H14O3	`isobutyl-acetoacetate`
Isobutyl chloroformate	543-27-1	C5H9ClO2	`isobutyl-chloroformate`
Isobutyl isothiocyanate	591-82-2	C5H9NS	`isobutyl-isothiocyanate`
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`

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).