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Benzenepropanesulfonic acid, 3,4-dimethoxy-.beta.-(2-methoxyphenoxy)-.gamma.-oxo-, methyl ester
SpectraBase Compound ID 50LPWz5gYfA
InChI InChI=1S/C19H22O8S/c1-23-14-7-5-6-8-16(14)27-18(12-28(21,22)26-4)19(20)13-9-10-15(24-2)17(11-13)25-3/h5-11,18H,12H2,1-4H3
InChIKey BKBVNXWVTJHFKM-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C19H22O8S
Exact Mass 410.103539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqN2VWqdgc8
Name Benzenepropanesulfonic acid, 3,4-dimethoxy-.beta.-(2-methoxyphenoxy)-.gamma.-oxo-, methyl ester
Alternate Name(s) 1-(3,4-Dimethoxyphenylbenzoyl)-1-(2-methoxyphenoxy)ethane-2-sulfonic acid methyl ester Methyl 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-3-oxo-1-propanesulfonate
CAS Registry Number 65401-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O8S
InChI InChI=1S/C19H22O8S/c1-23-14-7-5-6-8-16(14)27-18(12-28(21,22)26-4)19(20)13-9-10-15(24-2)17(11-13)25-3/h5-11,18H,12H2,1-4H3
InChIKey BKBVNXWVTJHFKM-UHFFFAOYSA-N
Molecular Weight 410.437 g/mol
SMILES C(S(=O)(=O)OC)C(C(c1cc(OC)c(cc1)OC)=O)Oc1c(OC)cccc1
SPLASH splash10-014i-0901000000-f97703396e12bf44267c
Source of Spectrum SB-31-741-0
Wiley ID 1373532