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 801–880 of 1,285 · formula C5–C8 · page 11/17

Name	CAS	Formula	Slug
Dimethylketene dimer	3173-79-3	C8H12O2	`dimethylketene-dimer`
Dimethylmalonic Acid	595-46-0	C5H8O4	`dimethylmalonic-acid`
dimethylolbutyric acid	10097-02-6	C6H12O4	`dimethylolbutyric-acid`
Dimethylolpropionic acid	4767-03-7	C5H10O4	`dimethylolpropionic-acid`
Dioxabenzofos	3811-49-2	C8H9O3PS	`dioxabenzofos`
Dipicolinic acid	499-83-2	C7H5NO4	`dipicolinic-acid`
disulfoton	298-04-4	C8H19O2PS3	`disulfoton`
Dithienyl	492-97-7	C8H6S2	`dithienyl`
dl-2-Amino-1-hexanol	5665-74-7	C6H15NO	`dl-2-amino-1-hexanol`
DL-Arginine	7200-25-1	C6H14N4O2	`dl-arginine`
DL-Citrulline	627-77-0	C6H13N3O3	`dl-citrulline`
DL-Glutamic acid	617-65-2	C5H9NO4	`dl-glutamic-acid`
DL-Glutamine	6899-04-3	C5H10N2O3	`dl-glutamine`
Dl-Histidine	4998-57-6	C6H9N3O2	`dl-histidine`
DL-Leucine	328-39-2	C6H13NO2	`dl-leucine`
DL-Lysine	70-54-2	C6H14N2O2	`dl-lysine`
Dl-Methionine	59-51-8	C5H11NO2S	`dl-methionine`
DL-Norleucine	616-06-8	C6H13NO2	`dl-norleucine`
Dl-Norvaline	760-78-1	C5H11NO2	`dl-norvaline`
DL-Pyroglutamic acid	149-87-1	C5H7NO3	`dl-pyroglutamic-acid`
DL-threo-beta-Methylaspartic acid	6667-60-3	C5H9NO4	`dl-threo-beta-methylaspartic-acid`
DL-Valine	516-06-3	C5H11NO2	`dl-valine`
DMCH cpd	6358-64-1	C8H10ClNO2	`dmch-cpd`
Dmox	30093-99-3	C5H9NO	`dmox`
Doma	775-01-9	C8H8O5	`doma`
Dopac	102-32-9	C8H8O4	`dopac`
dopamine	51-61-6	C8H11NO2	`dopamine`
Dytek Ep	589-37-7	C5H14N2	`dytek-ep`
Epsilon-caprolactone	502-44-3	C6H10O2	`epsilon-caprolactone`
Ethenylcyclopropane	693-86-7	C5H8	`ethenylcyclopropane`
ethionamide	536-33-4	C8H10N2S	`ethionamide`
Ethohexadiol	94-96-2	C8H18O2	`ethohexadiol`
Ethyl (methylthio)acetate	4455-13-4	C5H10O2S	`ethyl-methylthioacetate`
Ethyl (trimethylsilyl)acetate	4071-88-9	C7H16O2Si	`ethyl-trimethylsilylacetate`
Ethyl 2-bromohexanoate	615-96-3	C8H15BrO2	`ethyl-2-bromohexanoate`
Ethyl 2-bromoisobutyrate	600-00-0	C6H11BrO2	`ethyl-2-bromoisobutyrate`
Ethyl 2-bromopropionate	535-11-5	C5H9BrO2	`ethyl-2-bromopropionate`
Ethyl 2-butynoate	4341-76-8	C6H8O2	`ethyl-2-butynoate`
Ethyl 2-ethylbutanoate	2983-38-2	C8H16O2	`ethyl-2-ethylbutanoate`
Ethyl 2-mercaptopropionate	19788-49-9	C5H10O2S	`ethyl-2-mercaptopropionate`
Ethyl 2-methylpentanoate	39255-32-8	C8H16O2	`ethyl-2-methylpentanoate`
Ethyl 3-amino-1H-pyrazole-4-carboxylate	6994-25-8	C6H9N3O2	`ethyl-3-amino-1h-pyrazole-4-carboxylate`
Ethyl 3-bromopropanoate	539-74-2	C5H9BrO2	`ethyl-3-bromopropanoate`
ethyl 3-chloro-3-oxopropanoate	36239-09-5	C5H7ClO3	`ethyl-3-chloro-3-oxopropanoate`
Ethyl 3-chloropropionate	623-71-2	C5H9ClO2	`ethyl-3-chloropropionate`
Ethyl 3-Mercaptopropionate	5466-06-8	C5H10O2S	`ethyl-3-mercaptopropionate`
Ethyl 3-methoxypropanoate	10606-42-5	C6H12O3	`ethyl-3-methoxypropanoate`
Ethyl 3-oxohexanoate	3249-68-1	C8H14O3	`ethyl-3-oxohexanoate`
ethyl 4-aminobutanoate	5959-36-4	C6H13NO2	`ethyl-4-aminobutanoate`
Ethyl 4-bromobutyrate	2969-81-5	C6H11BrO2	`ethyl-4-bromobutyrate`
Ethyl 4-chlorobutyrate	3153-36-4	C6H11ClO2	`ethyl-4-chlorobutyrate`
Ethyl 5-oxohexanoate	13984-57-1	C8H14O3	`ethyl-5-oxohexanoate`
Ethyl 6-bromohexanoate	25542-62-5	C8H15BrO2	`ethyl-6-bromohexanoate`
ethyl acetoacetate	141-97-9	C6H10O3	`ethyl-acetoacetate`
Ethyl bis(ethylthio)acetate	20461-95-4	C8H16O2S2	`ethyl-bisethylthioacetate`
Ethyl Cyanoacetate	105-56-6	C5H7NO2	`ethyl-cyanoacetate`
Ethyl cyclopropanecarboxylate	4606-07-9	C6H10O2	`ethyl-cyclopropanecarboxylate`
Ethyl dimethylglycinate	33229-89-9	C6H13NO2	`ethyl-dimethylglycinate`
Ethyl methacrylate	97-63-2	C6H10O2	`ethyl-methacrylate`
Ethyl N-ethylcarbamate	623-78-9	C5H11NO2	`ethyl-n-ethylcarbamate`
Ethyl nicotinate	614-18-6	C8H9NO2	`ethyl-nicotinate`
Ethyl nipecotate	5006-62-2	C8H15NO2	`ethyl-nipecotate`
Ethyl pentafluoropropionate	426-65-3	C5H5F5O2	`ethyl-pentafluoropropionate`
Ethyl Picolinate	2524-52-9	C8H9NO2	`ethyl-picolinate`
Ethyl propiolate	623-47-2	C5H6O2	`ethyl-propiolate`
Ethyl Propionate	105-37-3	C5H10O2	`ethyl-propionate`
Ethyl Propyl Ether	628-32-0	C5H12O	`ethyl-propyl-ether`
Ethyl tert-butylacetate	5340-78-3	C8H16O2	`ethyl-tert-butylacetate`
Ethylbenzene	100-41-4	C8H10	`ethylbenzene`
Ethylbutylamine	13360-63-9	C6H15N	`ethylbutylamine`
Ethylcyclohexane	1678-91-7	C8H16	`ethylcyclohexane`
Ethyleneacetic acid	126-39-6	C6H12O2	`ethyleneacetic-acid`
Ethylidenecyclopropane	18631-83-9	C5H8	`ethylidenecyclopropane`
Ethylmalonic Acid	601-75-2	C5H8O4	`ethylmalonic-acid`
Ethyltriethoxysilane	78-07-9	C8H20O3Si	`ethyltriethoxysilane`
FEMA No. 4071	22940-86-9	C8H10O2	`fema-no-4071`
Fluorobenzene	462-06-6	C6H5F	`fluorobenzene`
Furfural	98-01-1	C5H4O2	`furfural`
Furfuryl Alcohol	98-00-0	C5H6O2	`furfuryl-alcohol`
Gallic acid	149-91-7	C7H6O5	`gallic-acid`

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).