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

*Links on SpectraBase are not permalinks.
(1'RS,2'E,3RS,RsSs)-3-[1'-(2"-hydroxyethyl)-3'-(phenylsulfinyl)prop-2'-enyl]cyclopentanone
SpectraBase Compound ID LgfR7GqbtAR
InChI InChI=1S/C16H20O3S/c17-10-8-13(14-6-7-15(18)12-14)9-11-20(19)16-4-2-1-3-5-16/h1-5,9,11,13-14,17H,6-8,10,12H2/b11-9+
InChIKey JHTDBEUZBPIFMO-PKNBQFBNSA-N
Mol Weight 292.39 g/mol
Molecular Formula C16H20O3S
Exact Mass 292.113316 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 KYdHc850UYJ
Name (1'RS,2'E,3RS,RsSs)-3-[1'-(2"-hydroxyethyl)-3'-(phenylsulfinyl)prop-2'-enyl]cyclopentanone
Alternate Name(s) 3-[(2E)-1-(2-hydroxyethyl)-3-(phenylsulfinyl)-2-propenyl]cyclopentanone
CAS Registry Number 114678-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3S
InChI InChI=1S/C16H20O3S/c17-10-8-13(14-6-7-15(18)12-14)9-11-20(19)16-4-2-1-3-5-16/h1-5,9,11,13-14,17H,6-8,10,12H2/b11-9+
InChIKey JHTDBEUZBPIFMO-PKNBQFBNSA-N
Molecular Weight 292.393 g/mol
SMILES OCCC(C1CC(=O)CC1)\C=C\S(=O)c1ccccc1
SPLASH splash10-0a6r-9820000000-132f2fecea68eaf3afe7
Source of Spectrum C-110-5420-41
Wiley ID 1295343