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2,4-Hexadienedioic acid, 2-[(2-aminophenyl)thio]-, dimethyl ester, (Z,E)-
SpectraBase Compound ID 7QmbCDiFaEN
InChI InChI=1S/C14H15NO4S/c1-18-13(16)9-5-8-12(14(17)19-2)20-11-7-4-3-6-10(11)15/h3-9H,15H2,1-2H3/b9-5+,12-8-
InChIKey CGNBLWVMDJSBBD-PVOXWDNASA-N
Mol Weight 293.34 g/mol
Molecular Formula C14H15NO4S
Exact Mass 293.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lueByqKjHe
Name 2,4-Hexadienedioic acid, 2-[(2-aminophenyl)thio]-, dimethyl ester, (Z,E)-
Alternate Name(s) Dimethyl (2Z,4E)-2-[(2-aminophenyl)sulfanyl]-2,4-hexadienedioate Dimethyl (4E,2Z)-2-(2-aminophenylthio)hexa-2,4-diene-1,6-dioate
CAS Registry Number 83443-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4S
InChI InChI=1S/C14H15NO4S/c1-18-13(16)9-5-8-12(14(17)19-2)20-11-7-4-3-6-10(11)15/h3-9H,15H2,1-2H3/b9-5+,12-8-
InChIKey CGNBLWVMDJSBBD-PVOXWDNASA-N
Molecular Weight 293.337 g/mol
SMILES Nc1c(S\C(C(=O)OC)=C\C=C\C(=O)OC)cccc1
SPLASH splash10-01c3-2950000000-82c3307af892c831b8f2
Source of Spectrum KC-1982-1912-0
Wiley ID 1296202