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2-Propenoic acid, 3-(4-chlorophenyl)-2-[[(methylthio)carbonyl]amino]-, ethyl ester, (Z)-
SpectraBase Compound ID CHhpUpEYLxf
InChI InChI=1S/C13H14ClNO3S/c1-3-18-12(16)11(15-13(17)19-2)8-9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3,(H,15,17)/b11-8-
InChIKey SJLIVEHZXBROLJ-FLIBITNWSA-N
Mol Weight 299.77 g/mol
Molecular Formula C13H14ClNO3S
Exact Mass 299.038292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAlp4o5z2GV
Name 2-Propenoic acid, 3-(4-chlorophenyl)-2-[[(methylthio)carbonyl]amino]-, ethyl ester, (Z)-
CAS Registry Number 126415-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClNO3S
InChI InChI=1S/C13H14ClNO3S/c1-3-18-12(16)11(15-13(17)19-2)8-9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3,(H,15,17)/b11-8-
InChIKey SJLIVEHZXBROLJ-FLIBITNWSA-N
Molecular Weight 299.772 g/mol
SMILES N(\C(C(=O)OCC)=C/c1ccc(cc1)Cl)C(=O)SC
SPLASH splash10-0udi-0930000000-e01f68aaf2e2d79f6a45
Source of Spectrum KC-1989-1581-1
Synonyms Ethyl (2Z)-3-(4-chlorophenyl)-2-{[(methylsulfanyl)carbonyl]amino}-2-propenoate Ethyl 3-(4-chlorophenyl)-2-(methylthiocarbonylamino)acrylate
Wiley ID 1301752