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1,3-Benzodioxole-5-acetic acid, 6,7-dimethoxy-.alpha.-(methylthio)-, ethyl ester
SpectraBase Compound ID 2heaK1FQrE8
InChI InChI=1S/C14H18O6S/c1-5-18-14(15)13(21-4)8-6-9-11(20-7-19-9)12(17-3)10(8)16-2/h6,13H,5,7H2,1-4H3
InChIKey DJRQDAFHDBJRAX-UHFFFAOYSA-N
Mol Weight 314.35 g/mol
Molecular Formula C14H18O6S
Exact Mass 314.082409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ukgbJRhohk
Name 1,3-Benzodioxole-5-acetic acid, 6,7-dimethoxy-.alpha.-(methylthio)-, ethyl ester
Alternate Name(s) Ethyl (6,7-dimethoxy-1,3-benzodioxol-5-yl)(methylsulfanyl)acetate Ethyl 2-(2',3'-dimethoxy-4',5'-methylenedioxyphenyl)-2-(methylthio)acetate
CAS Registry Number 75629-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O6S
InChI InChI=1S/C14H18O6S/c1-5-18-14(15)13(21-4)8-6-9-11(20-7-19-9)12(17-3)10(8)16-2/h6,13H,5,7H2,1-4H3
InChIKey DJRQDAFHDBJRAX-UHFFFAOYSA-N
Molecular Weight 314.352 g/mol
SMILES c1(c(c(OC)c2c(c1)OCO2)OC)C(C(=O)OCC)SC
SPLASH splash10-07vl-0091000000-81c2c3b0a5c4e5a2c085
Source of Spectrum B-33-1087-0
Wiley ID 1314726