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4,5-Hexadienoic acid, 2-(phenylsulfonyl)-, methyl ester
SpectraBase Compound ID 9X9gaKcyAdm
InChI InChI=1S/C13H14O4S/c1-3-4-10-12(13(14)17-2)18(15,16)11-8-6-5-7-9-11/h4-9,12H,1,10H2,2H3
InChIKey OAPPOKPWWKJXMX-UHFFFAOYSA-N
Mol Weight 266.31 g/mol
Molecular Formula C13H14O4S
Exact Mass 266.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACsYvlfrsVT
Name 4,5-Hexadienoic acid, 2-(phenylsulfonyl)-, methyl ester
Alternate Name(s) 2-(benzenesulfonyl)hexa-4,5-dienoic acid methyl ester Methyl 2-(benzenesulfonyl)hexa-4,5-dienoate Methyl 2-(phenylsulfonyl)hexa-4,5-dienoate
CAS Registry Number 100747-46-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4S
InChI InChI=1S/C13H14O4S/c1-3-4-10-12(13(14)17-2)18(15,16)11-8-6-5-7-9-11/h4-9,12H,1,10H2,2H3
InChIKey OAPPOKPWWKJXMX-UHFFFAOYSA-N
Molecular Weight 266.311 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(=O)OC)CC=C=C
SPLASH splash10-004l-9500000000-260478f8329d0daae0fd
Source of Spectrum F-43-3450-9
Wiley ID 1269662