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 1121–1200 of 1,285 · formula C5–C8 · page 15/17

Name	CAS	Formula	Slug
Pentylcyclopropane	2511-91-3	C8H16	`pentylcyclopropane`
Pentylene glycol	5343-92-0	C5H12O2	`pentylene-glycol`
Phebrol	1940-42-7	C6H3BrCl2O	`phebrol`
Phenachlor	88-06-2	C6H3Cl3O	`phenachlor`
Phenethylamine	64-04-0	C8H11N	`phenethylamine`
Phenol	108-95-2	C6H6O	`phenol`
Phenoxyacetic Acid	122-59-8	C8H8O3	`phenoxyacetic-acid`
Phenoxyacetyl chloride	701-99-5	C8H7ClO2	`phenoxyacetyl-chloride`
Phenyl Acetate	122-79-2	C8H8O2	`phenyl-acetate`
Phenyl vinyl sulphoxide	20451-53-0	C8H8OS	`phenyl-vinyl-sulphoxide`
phenylacetaldehyde	122-78-1	C8H8O	`phenylacetaldehyde`
Phenylacetic Acid	103-82-2	C8H8O2	`phenylacetic-acid`
Phenylacetonitrile	140-29-4	C8H7N	`phenylacetonitrile`
Phenylhydrazine	100-63-0	C6H8N2	`phenylhydrazine`
Phenylsulphonylacetonitrile	7605-28-9	C8H7NO2S	`phenylsulphonylacetonitrile`
Phenyltrichlorosilane	98-13-5	C6H5Cl3Si	`phenyltrichlorosilane`
Phlorone	137-18-8	C8H8O2	`phlorone`
Phthalan	496-14-0	C8H8O	`phthalan`
phthalic acid	88-99-3	C8H6O4	`phthalic-acid`
Phthalic Anhydride	85-44-9	C8H4O3	`phthalic-anhydride`
Phthalide	87-41-2	C8H6O2	`phthalide`
Phthalimide	85-41-6	C8H5NO2	`phthalimide`
Picolinamide	1452-77-3	C6H6N2O	`picolinamide`
picolinic acid	98-98-6	C6H5NO2	`picolinic-acid`
Pinacol	76-09-5	C6H14O2	`pinacol`
Pinacolone	75-97-8	C6H12O	`pinacolone`
Piperidin-1-ol	4801-58-5	C5H11NO	`piperidin-1-ol`
piperidine-2-carboxylic acid	535-75-1	C6H11NO2	`piperidine-2-carboxylic-acid`
Piperonal	120-57-0	C8H6O3	`piperonal`
Piperonylic Acid	94-53-1	C8H6O4	`piperonylic-acid`
Pivalamide	754-10-9	C5H11NO	`pivalamide`
Pivalic acid	75-98-9	C5H10O2	`pivalic-acid`
Proline DL-form	609-36-9	C5H9NO2	`proline-dl-form`
Propanal dimethyl acetal	4744-10-9	C5H12O2	`propanal-dimethyl-acetal`
Propyl cyanoacetate	14447-15-5	C6H9NO2	`propyl-cyanoacetate`
Propylene glycol methyl ether acetate	108-65-6	C6H12O3	`propylene-glycol-methyl-ether-acetate`
Protectol DMT	696-59-3	C6H12O3	`protectol-dmt`
Purine	120-73-0	C5H4N4	`purine`
pyrazinamide	98-96-4	C5H5N3O	`pyrazinamide`
Pyrazine-2-carboxylic acid	98-97-5	C5H4N2O2	`pyrazine-2-carboxylic-acid`
Pyridine	110-86-1	C5H5N	`pyridine`
pyridoxal	66-72-8	C8H9NO3	`pyridoxal`
pyridoxal phosphate	54-47-7	C8H10NO6P	`pyridoxal-phosphate`
pyridoxamine	85-87-0	C8H12N2O2	`pyridoxamine`
pyridoxamine phosphate	529-96-4	C8H13N2O5P	`pyridoxamine-phosphate`
pyridoxine	65-23-6	C8H11NO3	`pyridoxine`
pyrithione	1121-30-8	C5H5NOS	`pyrithione`
Pyrocatechol ethylene ether	493-09-4	C8H8O2	`pyrocatechol-ethylene-ether`
Pyrrole-3-carboxaldehyde	7126-39-8	C5H5NO	`pyrrole-3-carboxaldehyde`
quinolinic acid	89-00-9	C7H5NO4	`quinolinic-acid`
RCRA waste number U082	87-65-0	C6H4Cl2O	`rcra-waste-number-u082`
resorcinol	108-46-3	C6H6O2	`resorcinol`
S-Acetylmercaptosuccinic anhydride	6953-60-2	C6H6O4S	`s-acetylmercaptosuccinic-anhydride`
S-Phenyl thioacetate	934-87-2	C8H8OS	`s-phenyl-thioacetate`
s-Trichlorobenzene	108-70-3	C6H3Cl3	`s-trichlorobenzene`
sec-Butyl Disulfide	5943-30-6	C8H18S2	`sec-butyl-disulfide`
sec-Butyl ether	6863-58-7	C8H18O	`sec-butyl-ether`
Selenomethionine	1464-42-2	C5H11NO2Se	`selenomethionine`
Senecioic acid	541-47-9	C5H8O2	`senecioic-acid`
Styrene	100-42-5	C8H8	`styrene`
Styrene oxide	96-09-3	C8H8O	`styrene-oxide`
Succinylnitrile	63979-84-0	C6H4N2O2	`succinylnitrile`
sulfanilamide	63-74-1	C6H8N2O2S	`sulfanilamide`
Sulfanilic Acid	121-57-3	C6H7NO3S	`sulfanilic-acid`
Swep	1918-18-9	C8H7Cl2NO2	`swep`
Sym-m-xylenol	108-68-9	C8H10O	`sym-m-xylenol`
Temed	110-18-9	C6H16N2	`temed`
Terephthalonitrile	623-26-7	C8H4N2	`terephthalonitrile`
tert-Amylamine	594-39-8	C5H13N	`tert-amylamine`
tert-Butyl 2-bromopropanoate	39149-80-9	C7H13BrO2	`tert-butyl-2-bromopropanoate`
tert-Butyl 3-butenoate	14036-55-6	C8H14O2	`tert-butyl-3-butenoate`
tert-Butyl acrylate	1663-39-4	C7H12O2	`tert-butyl-acrylate`
tert-Butyl carbamate	4248-19-5	C5H11NO2	`tert-butyl-carbamate`
tert-Butyl cyanoacetate	1116-98-9	C7H11NO2	`tert-butyl-cyanoacetate`
tert-Butyl ethyl ether	637-92-3	C6H14O	`tert-butyl-ethyl-ether`
Tert-Butyl Isocyanate	1609-86-5	C5H9NO	`tert-butyl-isocyanate`
tert-Butyl methyl ether	1634-04-4	C5H12O	`tert-butyl-methyl-ether`
tert-Butyl N-(2-hydroxyethyl)carbamate	26690-80-2	C7H15NO3	`tert-butyl-n-2-hydroxyethylcarbamate`
tert-Butyl N-(3-hydroxypropyl)carbamate	58885-58-8	C8H17NO3	`tert-butyl-n-3-hydroxypropylcarbamate`
tert-Butyl sulfide	107-47-1	C8H18S	`tert-butyl-sulfide`

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).