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Benzenepropanoic acid, 3,4-dimethoxy-.beta.-(methoxysulfonyl)-, methyl ester
SpectraBase Compound ID EJjn84RXOBq
InChI InChI=1S/C13H18O7S/c1-17-10-6-5-9(7-11(10)18-2)12(8-13(14)19-3)21(15,16)20-4/h5-7,12H,8H2,1-4H3
InChIKey JYLJCYUFSNTCEQ-UHFFFAOYSA-N
Mol Weight 318.34 g/mol
Molecular Formula C13H18O7S
Exact Mass 318.077324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARuguLFNpNt
Name Benzenepropanoic acid, 3,4-dimethoxy-.beta.-(methoxysulfonyl)-, methyl ester
CAS Registry Number 65401-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O7S
InChI InChI=1S/C13H18O7S/c1-17-10-6-5-9(7-11(10)18-2)12(8-13(14)19-3)21(15,16)20-4/h5-7,12H,8H2,1-4H3
InChIKey JYLJCYUFSNTCEQ-UHFFFAOYSA-N
Molecular Weight 318.340 g/mol
SMILES C(S(=O)(=O)OC)(CC(=O)OC)c1cc(OC)c(cc1)OC
SPLASH splash10-00e9-0791000000-c3649322eb3db4c1b248
Source of Spectrum SB-31-741-0
Synonyms 3-(3,4-Dimethoxyphenyl)-3-methoxysulfonyl-propionic acid methyl ester Methyl 3-(3,4-dimethoxyphenyl)-3-(methoxysulfonyl)propanoate
Wiley ID 1318027