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(4S,5R)-4-methyl-6-methylene-5-(p-tolylsulfonyl)oxepan-2-one
SpectraBase Compound ID Ga204amdXLx
InChI InChI=1S/C15H18O4S/c1-10-4-6-13(7-5-10)20(17,18)15-11(2)8-14(16)19-9-12(15)3/h4-7,11,15H,3,8-9H2,1-2H3/t11-,15+/m0/s1
InChIKey AQFDRCFYCJWMCM-XHDPSFHLSA-N
Mol Weight 294.37 g/mol
Molecular Formula C15H18O4S
Exact Mass 294.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXzMtjwGAEB
Name (4S,5R)-4-methyl-6-methylene-5-(p-tolylsulfonyl)oxepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4S
InChI InChI=1S/C15H18O4S/c1-10-4-6-13(7-5-10)20(17,18)15-11(2)8-14(16)19-9-12(15)3/h4-7,11,15H,3,8-9H2,1-2H3/t11-,15+/m0/s1
InChIKey AQFDRCFYCJWMCM-XHDPSFHLSA-N
Molecular Weight 294.365 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)(C(COC(C[C@@]1(C)[H])=O)=C)[H]
SPLASH splash10-00kb-9100000000-079dddf3da185fec77a2
Source of Spectrum F-50-6617-18
Synonyms (4S,5R)-4-methyl-6-methylene-5-tosyl-oxepan-2-one (4S,5R)-4-methyl-6-methylidene-5-(4-methylphenyl)sulfonyl-oxepan-2-one (4S,5R)-4-methyl-6-methylene-5-(4-methylphenyl)sulfonyl-2-oxepanone
Wiley ID 1296949