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 1–37 of 37 · letter S · page 1/1

Name	CAS	Formula	Slug
S acid	83-64-7	C10H9NO4S	`s-acid`
S-Acetylmercaptosuccinic anhydride	6953-60-2	C6H6O4S	`s-acetylmercaptosuccinic-anhydride`
S-Ethyl trifluorothioacetate	383-64-2	C4H5F3OS	`s-ethyl-trifluorothioacetate`
S-methyl-thioglycerol	22551-26-4	C4H10O2S	`s-methyl-thioglycerol`
S-Phenyl thioacetate	934-87-2	C8H8OS	`s-phenyl-thioacetate`
s-Tetrachloroethane	79-34-5	C2H2Cl4	`s-tetrachloroethane`
s-Trichlorobenzene	108-70-3	C6H3Cl3	`s-trichlorobenzene`
s-Trithiane	291-21-4	C3H6S3	`s-trithiane`
sarcosine	107-97-1	C3H7NO2	`sarcosine`
sec-Butyl Disulfide	5943-30-6	C8H18S2	`sec-butyl-disulfide`
sec-Butyl ether	6863-58-7	C8H18O	`sec-butyl-ether`
Sec-Butylamine	13952-84-6	C4H11N	`sec-butylamine`
Sec-Butylbenzene	135-98-8	C10H14	`sec-butylbenzene`
Selenomethionine	1464-42-2	C5H11NO2Se	`selenomethionine`
Senecioic acid	541-47-9	C5H8O2	`senecioic-acid`
serotonin	50-67-9	C10H12N2O	`serotonin`
spermine	71-44-3	C10H26N4	`spermine`
Styrene	100-42-5	C8H8	`styrene`
Styrene oxide	96-09-3	C8H8O	`styrene-oxide`
succinic acid	110-15-6	C4H6O4	`succinic-acid`
Succinic dihydrazide	4146-43-4	C4H10N4O2	`succinic-dihydrazide`
Succinonitrile	110-61-2	C4H4N2	`succinonitrile`
Succinyl Chloride	543-20-4	C4H4Cl2O2	`succinyl-chloride`
Succinylnitrile	63979-84-0	C6H4N2O2	`succinylnitrile`
sulfamethoxazole	723-46-6	C10H11N3O3S	`sulfamethoxazole`
sulfanilamide	63-74-1	C6H8N2O2S	`sulfanilamide`
Sulfanilic Acid	121-57-3	C6H7NO3S	`sulfanilic-acid`
Sulfoacetic Acid	123-43-3	C2H4O5S	`sulfoacetic-acid`
Surfynol 72	19549-98-5	C9H16O	`surfynol-72`
Surfynol 82	78-66-0	C10H18O2	`surfynol-82`
Swep	1918-18-9	C8H7Cl2NO2	`swep`
sym-Dichloroacetone	534-07-6	C3H4Cl2O	`sym-dichloroacetone`
sym-Dimethylthiourea	61805-96-7	C3H8N2S	`sym-dimethylthiourea`
sym-Dimethylurea	96-31-1	C3H8N2O	`sym-dimethylurea`
Sym-glycerol dichlorohydrin	96-23-1	C3H6Cl2O	`sym-glycerol-dichlorohydrin`
Sym-m-xylenol	108-68-9	C8H10O	`sym-m-xylenol`
Syringaldehyde	134-96-3	C9H10O4	`syringaldehyde`

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).