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

View entire compound with spectra: 1 MS (GC)

2-Butanoyl-3-hydroxy-5-(3-thianyl)-2-cyclohexen-1-one
SpectraBase Compound ID BcvUCD5I4ri
InChI InChI=1S/C15H22O3S/c1-2-4-13(16)12-7-11(8-14(17)15(12)18)10-5-3-6-19-9-10/h10-11,18H,2-9H2,1H3
InChIKey FCGMBPPZSINOKK-UHFFFAOYSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wrKR6LSUle
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/c1-2-4-13(16)12-7-11(8-14(17)15(12)18)10-5-3-6-19-9-10/h10-11,18H,2-9H2,1H3
InChIKey FCGMBPPZSINOKK-UHFFFAOYSA-N
Molecular Weight 282.1284
SMILES OC1=C(C(CCC)=O)CC(CC1=O)C1CSCCC1
SPLASH splash10-00lr-8900000000-08c684b7807ab4253629
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany