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 1761–1840 of 2,593 · all compounds · page 23/33

Name	CAS	Formula	Slug
Hexachloronorbornadiene	3389-71-7	C7H2Cl6	`hexachloronorbornadiene`
Hexafluoro-tert-butanol	1515-14-6	C4H4F6O	`hexafluoro-tert-butanol`
Hexafluoroamylene glycol	376-90-9	C5H6F6O2	`hexafluoroamylene-glycol`
Hexafluoroisopropyl acrylate	2160-89-6	C6H4F6O2	`hexafluoroisopropyl-acrylate`
Hexahydroterephthalic acid	1076-97-7	C8H12O4	`hexahydroterephthalic-acid`
Hexamethylene Diisocyanate	822-06-0	C8H12N2O2	`hexamethylene-diisocyanate`
Hexamethyleneimine	111-49-9	C6H13N	`hexamethyleneimine`
Hexamethylethane	594-82-1	C8H18	`hexamethylethane`
Hexamethylphosphoramide	680-31-9	C6H18N3OP	`hexamethylphosphoramide`
Hexamethylphosphorous triamide	1608-26-0	C6H18N3P	`hexamethylphosphorous-triamide`
Hexanamide	628-02-4	C6H13NO	`hexanamide`
Hexane	110-54-3	C6H14	`hexane`
Hexanenitrile	628-73-9	C6H11N	`hexanenitrile`
Hexanoic Acid	142-62-1	C6H12O2	`hexanoic-acid`
Hexanoyl chloride	142-61-0	C6H11ClO	`hexanoyl-chloride`
Hexitol	45007-61-2	C6H14O6	`hexitol`
HexNAc	478529-39-4	C8H15NO6	`hexnac`
Hexopyranose	45009-62-9	C6H12O6	`hexopyranose`
Hexopyranuronic acid	912483-14-8	C6H10O7	`hexopyranuronic-acid`
Hexyl acetoacetate	13562-84-0	C10H18O3	`hexyl-acetoacetate`
Hexylamine	111-26-2	C6H15N	`hexylamine`
Hexylene glycol	107-41-5	C6H14O2	`hexylene-glycol`
Hexyltrimethoxysilane	3069-19-0	C9H22O3Si	`hexyltrimethoxysilane`
HFC-245eb	431-31-2	C3H3F5	`hfc-245eb`
hinokitiol	499-44-5	C10H12O2	`hinokitiol`
Hippuric acid	495-69-2	C9H9NO3	`hippuric-acid`
histamine	51-45-6	C5H9N3	`histamine`
histidinol	501-28-0	C6H11N3O	`histidinol`
Homocysteic acid	1001-13-4	C4H9NO5S	`homocysteic-acid`
Homogentisic acid	451-13-8	C8H8O4	`homogentisic-acid`
Homovanillic acid	306-08-1	C9H10O4	`homovanillic-acid`
Homovanillyl alcohol	2380-78-1	C9H12O3	`homovanillyl-alcohol`
Homoveratric acid	93-40-3	C10H12O4	`homoveratric-acid`
Homoveratronitrile	93-17-4	C10H11NO2	`homoveratronitrile`
Homoveratrylamine	120-20-7	C10H15NO2	`homoveratrylamine`
Hydantoic acid	462-60-2	C3H6N2O3	`hydantoic-acid`
Hydantoin	461-72-3	C3H4N2O2	`hydantoin`
hydralazine	86-54-4	C8H8N4	`hydralazine`
hydrocinnamic acid	501-52-0	C9H10O2	`hydrocinnamic-acid`
hydroquinone	123-31-9	C6H6O2	`hydroquinone`
Hydroquinone bis(2-hydroxyethyl) ether	104-38-1	C10H14O4	`hydroquinone-bis2-hydroxyethyl-ether`
Hydroxyacetone	116-09-6	C3H6O2	`hydroxyacetone`
Hydroxyhydroquinone	533-73-3	C6H6O3	`hydroxyhydroquinone`
Hydroxyhydroquinone trimethyl ether	135-77-3	C9H12O3	`hydroxyhydroquinone-trimethyl-ether`
hypotaurine	300-84-5	C2H7NO2S	`hypotaurine`
hypoxanthine	68-94-0	C5H4N4O	`hypoxanthine`
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`

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).