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

*Links on SpectraBase are not permalinks.
3,3-dimethylthian-4-one
SpectraBase Compound ID CliHvC9qd7p
InChI InChI=1S/C7H12OS/c1-7(2)5-9-4-3-6(7)8/h3-5H2,1-2H3
InChIKey NOIKXGKLRGMDAB-UHFFFAOYSA-N
Mol Weight 144.23 g/mol
Molecular Formula C7H12OS
Exact Mass 144.060886 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 Brws9on8JjJ
Name 4H-Thiopyran-4-one, tetrahydro-3,3-dimethyl-
CAS Registry Number 22842-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12OS
InChI InChI=1S/C7H12OS/c1-7(2)5-9-4-3-6(7)8/h3-5H2,1-2H3
InChIKey NOIKXGKLRGMDAB-UHFFFAOYSA-N
Molecular Weight 144.232 g/mol
SMILES C1(C(=O)CCSC1)(C)C
SPLASH splash10-0a4l-9500000000-086bbbe8c13dd7865680
Source of Spectrum J-52-1229-6
Synonyms 3,3-Dimethyl-4-thianone 3,3-Dimethyltetrahydro-4H-thiopyran-4-one 3,3-Dimethyltetrahydrothiopyran-4-one 3,3-Dimethylthian-4-one
Wiley ID 1142361