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1-Propene-1-sulfonic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-3-oxo-, methyl ester
SpectraBase Compound ID 1wsG9uoW3Au
InChI InChI=1S/C13H14O7S/c1-9(14)20-12-5-4-10(8-13(12)18-2)11(15)6-7-21(16,17)19-3/h4-8H,1-3H3/b7-6+
InChIKey LSCQHYFLDGQWPN-VOTSOKGWSA-N
Mol Weight 314.31 g/mol
Molecular Formula C13H14O7S
Exact Mass 314.046024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bjOXoPMGLz
Name 1-Propene-1-sulfonic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-3-oxo-, methyl ester
Alternate Name(s) 1-(4-Acetoxy-3-methoxybenzoyl)ethene-2-sulfonic acid methyl ester 2-Methoxy-4-[(2E)-3-(methoxysulfonyl)-2-propenoyl]phenyl acetate
CAS Registry Number 65401-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O7S
InChI InChI=1S/C13H14O7S/c1-9(14)20-12-5-4-10(8-13(12)18-2)11(15)6-7-21(16,17)19-3/h4-8H,1-3H3/b7-6+
InChIKey LSCQHYFLDGQWPN-VOTSOKGWSA-N
Molecular Weight 314.308 g/mol
SMILES C(\C=C\S(=O)(=O)OC)(c1cc(OC)c(cc1)OC(=O)C)=O
SPLASH splash10-0fk9-0891000000-7ad854344257fa75dfbe
Source of Spectrum SB-31-741-0
Wiley ID 1314661