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

*Links on SpectraBase are not permalinks.
Cyclopentanecarboxylic acid, 1-[(4-methoxy-4-oxobutyl)thio]-3-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID Ghwp1jiZk0L
InChI InChI=1S/C12H18O5S/c1-16-10(14)4-3-7-18-12(11(15)17-2)6-5-9(13)8-12/h3-8H2,1-2H3
InChIKey KJQSCMCUSKUYCN-UHFFFAOYSA-N
Mol Weight 274.33 g/mol
Molecular Formula C12H18O5S
Exact Mass 274.087495 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 Le0yNx7NeSL
Name Cyclopentanecarboxylic acid, 1-[(4-methoxy-4-oxobutyl)thio]-3-oxo-, methyl ester, (.+-.)-
CAS Registry Number 121452-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5S
InChI InChI=1S/C12H18O5S/c1-16-10(14)4-3-7-18-12(11(15)17-2)6-5-9(13)8-12/h3-8H2,1-2H3
InChIKey KJQSCMCUSKUYCN-UHFFFAOYSA-N
Molecular Weight 274.331 g/mol
SMILES C1(C(=O)OC)(CC(=O)CC1)SCCCC(=O)OC
SPLASH splash10-01po-1910000000-8717e80702a919dbc0bf
Source of Spectrum F-44-2562-3
Synonyms 3-Methoxycarbonyl-3-(3-methoxycarbonyl-propylthio)-cyclopentanone Methyl 1-[(4-methoxy-4-oxobutyl)sulfanyl]-3-oxocyclopentanecarboxylate
Wiley ID 1277751