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2-Cyclohexen-1-one, 3-(bromomethyl)-4-methyl-4-[(phenylsulfonyl)acetyl]-
SpectraBase Compound ID DaVu2ZzQE8E
InChI InChI=1S/C16H17BrO4S/c1-16(8-7-13(18)9-12(16)10-17)15(19)11-22(20,21)14-5-3-2-4-6-14/h2-6,9H,7-8,10-11H2,1H3
InChIKey PDLHZPPMTUOVMV-UHFFFAOYSA-N
Mol Weight 385.27 g/mol
Molecular Formula C16H17BrO4S
Exact Mass 384.003093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7xZ4gXO0x4
Name 2-Cyclohexen-1-one, 3-(bromomethyl)-4-methyl-4-[(phenylsulfonyl)acetyl]-
CAS Registry Number 112905-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO4S
InChI InChI=1S/C16H17BrO4S/c1-16(8-7-13(18)9-12(16)10-17)15(19)11-22(20,21)14-5-3-2-4-6-14/h2-6,9H,7-8,10-11H2,1H3
InChIKey PDLHZPPMTUOVMV-UHFFFAOYSA-N
Molecular Weight 385.272 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(C1(C(=CC(CC1)=O)CBr)C)=O
SPLASH splash10-01t9-9700000000-4453fca9153ad4974c5f
Source of Spectrum B-40-1338-15
Synonyms 3-(bromomethyl)-4-methyl-4-[(phenylsulfonyl)acetyl]-2-cyclohexen-1-one Cyclization of 4-[2'-(benzenesulfonyl)-1'-oxoethyl]-3-(bromomethyl)-4-methylcyclohex-2-enone
Wiley ID 1361307