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2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-[[(methylthio)carbonyl]amino]-, ethyl ester, (Z)-
SpectraBase Compound ID 6WtwhJsU9Ro
InChI InChI=1S/C14H15NO5S/c1-3-18-13(16)10(15-14(17)21-2)6-9-4-5-11-12(7-9)20-8-19-11/h4-7H,3,8H2,1-2H3,(H,15,17)/b10-6-
InChIKey DFQUQWRLSQCZCU-POHAHGRESA-N
Mol Weight 309.34 g/mol
Molecular Formula C14H15NO5S
Exact Mass 309.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LNSlfMYuAm
Name 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-[[(methylthio)carbonyl]amino]-, ethyl ester, (Z)-
Alternate Name(s) Ethyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(methylsulfanyl)carbonyl]amino}-2-propenoate Ethyl 3-(3,4-methylenedioxyphenyl)-2-(methylthiocarbonyl-amino)acrylate
CAS Registry Number 126415-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO5S
InChI InChI=1S/C14H15NO5S/c1-3-18-13(16)10(15-14(17)21-2)6-9-4-5-11-12(7-9)20-8-19-11/h4-7H,3,8H2,1-2H3,(H,15,17)/b10-6-
InChIKey DFQUQWRLSQCZCU-POHAHGRESA-N
Molecular Weight 309.336 g/mol
SMILES N(\C(=C/c1cc2OCOc2cc1)C(=O)OCC)C(=O)SC
SPLASH splash10-03di-0942000000-3bbcd1e98e87de3b8b2d
Source of Spectrum KC-1989-1581-1
Wiley ID 1310503