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2-((Phenylsulfonyl)oxy)cyclohex-2-enone
SpectraBase Compound ID 7inIG7qcvbQ
InChI InChI=1S/C12H12O4S/c13-11-8-4-5-9-12(11)16-17(14,15)10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2
InChIKey VCROGFODHRHPGE-UHFFFAOYSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H12O4S
Exact Mass 252.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ovRGS7N8RP
Name 2-((Phenylsulfonyl)oxy)cyclohex-2-enone
CAS Registry Number 70871-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4S
InChI InChI=1S/C12H12O4S/c13-11-8-4-5-9-12(11)16-17(14,15)10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2
InChIKey VCROGFODHRHPGE-UHFFFAOYSA-N
Molecular Weight 252.284 g/mol
SMILES C=1(OS(=O)(=O)c2ccccc2)C(=O)CCCC1
SPLASH splash10-002f-8910000000-736b3954b6e68ea02b7b
Source of Spectrum J-49-2358-0
Synonyms 6-Oxo-1-cyclohexen-1-yl benzenesulfonate
Wiley ID 1255169