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2-phenylsulfonylhex-1-en-3-one
SpectraBase Compound ID 7UpZZYWSEyx
InChI InChI=1S/C12H14O3S/c1-3-7-12(13)10(2)16(14,15)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7H2,1H3
InChIKey COCDHXPOZAHIPK-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZm96uuRQQz
Name 2-(Benzenesulfonyl)-1-hexen-3-one
CAS Registry Number 133834-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-3-7-12(13)10(2)16(14,15)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7H2,1H3
InChIKey COCDHXPOZAHIPK-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(=O)CCC)=C
SPLASH splash10-004i-8900000000-60622576f973de7a6a87
Source of Spectrum J-56-4105-4
Synonyms 2-(benzenesulfonyl)hex-1-en-3-one 2-(Phenylsulfonyl)hex-1-en-3-one 2-besylhex-1-en-3-one
Wiley ID 1240246