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

*Links on SpectraBase are not permalinks.
3-[2-(Methylthio)-2-(3,4-dimethoxyphenyl)ethyl]cyclopentanone
SpectraBase Compound ID 43x68aS3r3Z
InChI InChI=1S/C16H22O3S/c1-18-14-7-5-12(10-15(14)19-2)16(20-3)9-11-4-6-13(17)8-11/h5,7,10-11,16H,4,6,8-9H2,1-3H3
InChIKey ZDTJAVAYFVLAEE-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 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 I5gG4XDSUhu
Name 3-[2-(Methylthio)-2-(3,4-dimethoxyphenyl)ethyl]cyclopentanone
Alternate Name(s) 3-[2-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)ethyl]cyclopentanone
CAS Registry Number 139378-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-18-14-7-5-12(10-15(14)19-2)16(20-3)9-11-4-6-13(17)8-11/h5,7,10-11,16H,4,6,8-9H2,1-3H3
InChIKey ZDTJAVAYFVLAEE-UHFFFAOYSA-N
Molecular Weight 294.409 g/mol
SMILES c1(cc(OC)c(cc1)OC)C(CC1CC(=O)CC1)SC
SPLASH splash10-0udj-0980000000-329f47df21e6942d655f
Source of Spectrum J-57-2261-12
Wiley ID 1297110