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6-(2-oxopropyl)-2-(phenylsulfonyl)-1,3-cyclohexadiene
SpectraBase Compound ID 58Iw14OEjDc
InChI InChI=1S/C15H16O3S/c1-12(16)10-13-6-5-9-15(11-13)19(17,18)14-7-3-2-4-8-14/h2-5,7-9,11,13H,6,10H2,1H3
InChIKey QIZRETTYDMJDMA-UHFFFAOYSA-N
Mol Weight 276.35 g/mol
Molecular Formula C15H16O3S
Exact Mass 276.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c3KYabTDE
Name 6-(2-oxopropyl)-2-(phenylsulfonyl)-1,3-cyclohexadiene
Alternate Name(s) 1-[3-(phenylsulfonyl)-2,4-cyclohexadien-1-yl]acetone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O3S
InChI InChI=1S/C15H16O3S/c1-12(16)10-13-6-5-9-15(11-13)19(17,18)14-7-3-2-4-8-14/h2-5,7-9,11,13H,6,10H2,1H3
InChIKey QIZRETTYDMJDMA-UHFFFAOYSA-N
Molecular Weight 276.350 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=CC(CC(=O)C)CC=C1
SPLASH splash10-002f-9220000000-9f097674e5b62467c7c7
Source of Spectrum AG-555-227-0
Wiley ID 1279970