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2,4-Hexadienedioic acid, 2-(1H-benzimidazol-2-ylthio)-, dimethyl ester, (Z,E)-
SpectraBase Compound ID KlPUQHR6vVl
InChI InChI=1S/C15H14N2O4S/c1-20-13(18)9-5-8-12(14(19)21-2)22-15-16-10-6-3-4-7-11(10)17-15/h3-9H,1-2H3,(H,16,17)/b9-5+,12-8-
InChIKey KQOJNIPNHOZARV-PVOXWDNASA-N
Mol Weight 318.35 g/mol
Molecular Formula C15H14N2O4S
Exact Mass 318.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lcrRLQE88j
Name 2,4-Hexadienedioic acid, 2-(1H-benzimidazol-2-ylthio)-, dimethyl ester, (Z,E)-
Alternate Name(s) Dimethyl (2Z,4E)-2-(1H-benzimidazol-2-ylsulfanyl)-2,4-hexadienedioate Dimethyl(2Z,4E)-2-(1H-benzimidazol-2-ylthio)hexa-2,4-diene-1,6-dioate
CAS Registry Number 83443-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O4S
InChI InChI=1S/C15H14N2O4S/c1-20-13(18)9-5-8-12(14(19)21-2)22-15-16-10-6-3-4-7-11(10)17-15/h3-9H,1-2H3,(H,16,17)/b9-5+,12-8-
InChIKey KQOJNIPNHOZARV-PVOXWDNASA-N
Molecular Weight 318.347 g/mol
SMILES [nH]1c2ccccc2nc1S\C(C(=O)OC)=C\C=C\C(=O)OC
SPLASH splash10-002r-1190000000-e7708dde016c06a7c65b
Source of Spectrum KC-1982-1911-0
Wiley ID 1318179