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4-Hexenoic acid, 2-[(4-methylphenyl)sulfonyl]-, methyl ester
SpectraBase Compound ID n4P6YW5XGA
InChI InChI=1S/C14H18O4S/c1-4-5-6-13(14(15)18-3)19(16,17)12-9-7-11(2)8-10-12/h4-5,7-10,13H,6H2,1-3H3/b5-4+
InChIKey YHMRNDQBOYNVDR-SNAWJCMRSA-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 F5IY6HCzNtE
Name 4-Hexenoic acid, 2-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Registry Number 112778-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4S
InChI InChI=1S/C14H18O4S/c1-4-5-6-13(14(15)18-3)19(16,17)12-9-7-11(2)8-10-12/h4-5,7-10,13H,6H2,1-3H3/b5-4+
InChIKey YHMRNDQBOYNVDR-SNAWJCMRSA-N
Molecular Weight 282.354 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)OC)C\C=C\C
SPLASH splash10-004i-6900000000-d9c100616a4f13341931
Source of Spectrum AJ-60-1526-6
Wiley ID 1285603