For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R)-1-[1(S)-1,2-Dihydroxyethyl]butyl 2-(Phenylsulfonyl)propionate
SpectraBase Compound ID 3MT3peytXy3
InChI InChI=1S/C15H22O4S/c1-3-7-14(13(17)10-16)19-15(18)11(2)20-12-8-5-4-6-9-12/h4-6,8-9,11,13-14,16-17H,3,7,10H2,1-2H3/t11?,13-,14+/m0/s1
InChIKey NUNICTQQRXMMMP-SBKAZOPESA-N
Mol Weight 298.4 g/mol
Molecular Formula C15H22O4S
Exact Mass 298.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6wsZRTHnukw
Name (1R)-1-[1(S)-1,2-Dihydroxyethyl]butyl 2-(Phenylsulfonyl)propionate
Alternate Name(s) 2-Phenylsulfanyl-propionic acid (R)-1-((S)-1,2-dihydroxy-ethyl)-butyl ester 2-(Phenylthio)propanoic acid [(2S,3R)-1,2-dihydroxyhexan-3-yl] ester [(2S,3R)-1,2-dihydroxyhexan-3-yl] 2-phenylsulfanylpropanoate [(1R)-1-[(1S)-1,2-dihydroxyethyl]butyl] 2-phenylsulfanylpropanoate [(2S,3R)-1,2-bis(oxidanyl)hexan-3-yl] 2-phenylsulfanylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4S
InChI InChI=1S/C15H22O4S/c1-3-7-14(13(17)10-16)19-15(18)11(2)20-12-8-5-4-6-9-12/h4-6,8-9,11,13-14,16-17H,3,7,10H2,1-2H3/t11?,13-,14+/m0/s1
InChIKey NUNICTQQRXMMMP-SBKAZOPESA-N
Molecular Weight 298.397 g/mol
SMILES O[C@@](CO)([C@](OC(C(Sc1ccccc1)C)=O)(CCC)[H])[H]
SPLASH splash10-000i-0900000000-638562d1260ba31d4dfb
Source of Spectrum J-59-4468-8
Wiley ID 1300735