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2-Propene-1-sulfonic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, (E)-
SpectraBase Compound ID 6dwsg8ZH8OO
InChI InChI=1S/C12H16O5S/c1-15-11-7-6-10(9-12(11)16-2)5-4-8-18(13,14)17-3/h4-7,9H,8H2,1-3H3/b5-4+
InChIKey OEYFETJOKVYNSQ-SNAWJCMRSA-N
Mol Weight 272.31 g/mol
Molecular Formula C12H16O5S
Exact Mass 272.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFFJl2WjsGv
Name 2-Propene-1-sulfonic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, (E)-
CAS Registry Number 104503-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5S
InChI InChI=1S/C12H16O5S/c1-15-11-7-6-10(9-12(11)16-2)5-4-8-18(13,14)17-3/h4-7,9H,8H2,1-3H3/b5-4+
InChIKey OEYFETJOKVYNSQ-SNAWJCMRSA-N
Molecular Weight 272.315 g/mol
SMILES COS(=O)(=O)C\C=C\c1cc(OC)c(cc1)OC
SPLASH splash10-004i-0910000000-5a858545ddcfb1084f9e
Source of Spectrum I-64-1342-20
Synonyms Methyl (2E)-3-(3,4-dimethoxyphenyl)-2-propene-1-sulfonate Methyl-trans-3-(3',4'0dimethoxyphenyl)-2-propene-1-sulphonate
Wiley ID 1275765