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2-Propene-1-sulfonic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (E)-
SpectraBase Compound ID H0EnWCZCsjx
InChI InChI=1S/C13H18O6S/c1-16-11-8-10(6-5-7-20(14,15)19-4)9-12(17-2)13(11)18-3/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey SUXNXYBCTMYIES-AATRIKPKSA-N
Mol Weight 302.34 g/mol
Molecular Formula C13H18O6S
Exact Mass 302.082409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LSAXPjjAxL
Name 2-Propene-1-sulfonic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (E)-
Alternate Name(s) Methyl (2E)-3-(3,4,5-trimethoxyphenyl)-2-propene-1-sulfonate Methyl-3-(3',4',5'-trimethoxyphenyl)-2-propene-1-sulphonate
CAS Registry Number 104503-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O6S
InChI InChI=1S/C13H18O6S/c1-16-11-8-10(6-5-7-20(14,15)19-4)9-12(17-2)13(11)18-3/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey SUXNXYBCTMYIES-AATRIKPKSA-N
Molecular Weight 302.341 g/mol
SMILES COS(=O)(=O)C\C=C\c1cc(OC)c(c(c1)OC)OC
SPLASH splash10-0a6r-0983000000-c919d7121a3a8820c794
Source of Spectrum I-64-1343-21
Wiley ID 1304279