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6-Heptenoic acid, 2-(phenylsulfonyl)-, methyl ester
SpectraBase Compound ID CkJPMq0Jg3C
InChI InChI=1S/C14H18O4S/c1-3-4-6-11-13(14(15)18-2)19(16,17)12-9-7-5-8-10-12/h3,5,7-10,13H,1,4,6,11H2,2H3
InChIKey SJRGVGKXOQOKLE-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H18O4S
Exact Mass 282.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HegQVdE571
Name 6-Heptenoic acid, 2-(phenylsulfonyl)-, methyl ester
CAS Registry Number 133124-32-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4S
InChI InChI=1S/C14H18O4S/c1-3-4-6-11-13(14(15)18-2)19(16,17)12-9-7-5-8-10-12/h3,5,7-10,13H,1,4,6,11H2,2H3
InChIKey SJRGVGKXOQOKLE-UHFFFAOYSA-N
Molecular Weight 282.354 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(=O)OC)CCCC=C
SPLASH splash10-056u-9200000000-72e3fc2520b7870c0e0a
Source of Spectrum F-46-7770-6
Synonyms Methyl 2-(phenylsulfonyl)-6-heptenoate Methyl 2-phenylsulfonyle-6-heptenoate 2-(benzenesulfonyl)-6-heptenoic acid methyl ester Methyl 2-(benzenesulfonyl)hept-6-enoate Methyl 2-(phenylsulfonyl)hept-6-enoate
Wiley ID 1285594