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

*Links on SpectraBase are not permalinks.

2-Butanoyl-3-hydroxy-5-(3-thianyl)-2-cyclohexen-1-one

View entire compound with spectra: 9 NMR, 1 FTIR, and 1 MS (GC)

2-Butanoyl-3-hydroxy-5-(3-thianyl)-2-cyclohexen-1-one
SpectraBase Compound ID IsB0OcDGZG8
InChI InChI=1S/C15H22O3S/c1-2-4-12(16)15-13(17)7-11(8-14(15)18)10-5-3-6-19-9-10/h10-11,17H,2-9H2,1H3
InChIKey SDNBDESWJZDINZ-UHFFFAOYSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 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 GfO468KKzaQ
Name 2-Butanoyl-3-hydroxy-5-(3-thianyl)-2-cyclohexen-1-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H22O3S
InChI InChI=1S/C15H22O3S/c1-2-4-12(16)15-13(17)7-11(8-14(15)18)10-5-3-6-19-9-10/h10-11,17H,2-9H2,1H3
InChIKey SDNBDESWJZDINZ-UHFFFAOYSA-N
Molecular Weight 282.1284
SMILES OC=1CC(CC(=O)C1C(CCC)=O)C1CSCCC1
SPLASH splash10-001i-9800000000-c979c25b489b4bb54892
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany