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

*Links on SpectraBase are not permalinks.
Methyl 3-(cycloheptanon-2-yl)butanedithioate
SpectraBase Compound ID 1a54nDV9asa
InChI InChI=1S/C12H20OS2/c1-9(8-12(14)15-2)10-6-4-3-5-7-11(10)13/h9-10H,3-8H2,1-2H3
InChIKey IYNHXLKDFLMDCX-UHFFFAOYSA-N
Mol Weight 244.41 g/mol
Molecular Formula C12H20OS2
Exact Mass 244.095558 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 AEU3YEbf0v4
Name Methyl 3-(cycloheptanon-2-yl)butanedithioate
Alternate Name(s) Methyl 3-(2-oxocycloheptyl)butanedithioate
CAS Registry Number 111300-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20OS2
InChI InChI=1S/C12H20OS2/c1-9(8-12(14)15-2)10-6-4-3-5-7-11(10)13/h9-10H,3-8H2,1-2H3
InChIKey IYNHXLKDFLMDCX-UHFFFAOYSA-N
Molecular Weight 244.411 g/mol
SMILES C(CC(C1C(=O)CCCCC1)C)(=S)SC
SPLASH splash10-0006-8940000000-b00d5703e298052120ca
Source of Spectrum F-44-3582-17
Wiley ID 1246780