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3-Methyl-4-phenylsulfonyl-2-cyclohexene-1-one
SpectraBase Compound ID 45H7mV4ZFj1
InChI InChI=1S/C13H14O3S/c1-10-9-11(14)7-8-13(10)17(15,16)12-5-3-2-4-6-12/h2-6,9,13H,7-8H2,1H3
InChIKey HDMLLCIFEUXSTL-UHFFFAOYSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsMMWZQYx41
Name 3-Methyl-4-phenylsulfonyl-2-cyclohexene-1-one
Alternate Name(s) 3-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-10-9-11(14)7-8-13(10)17(15,16)12-5-3-2-4-6-12/h2-6,9,13H,7-8H2,1H3
InChIKey HDMLLCIFEUXSTL-UHFFFAOYSA-N
Molecular Weight 250.312 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)C(=CC(CC1)=O)C
SPLASH splash10-0a4i-0900000000-b91b7f1b2d5d61a9cfd3
Source of Spectrum AJ-65-2460-2
Wiley ID 771676