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Methyl 4,5-bis(4-chlorophenyl)-2-(phenylthio)hexa-2,4-dienoate
SpectraBase Compound ID 7JMeyzQDxVR
InChI InChI=1S/C25H20Cl2O2S/c1-17(18-8-12-20(26)13-9-18)23(19-10-14-21(27)15-11-19)16-24(25(28)29-2)30-22-6-4-3-5-7-22/h3-16H,1-2H3/b23-17+,24-16-
InChIKey JATZHUBAKNRJDL-NVNGFOFISA-N
Mol Weight 455.4 g/mol
Molecular Formula C25H20Cl2O2S
Exact Mass 454.056106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75jyW6rGUF0
Name Methyl 4,5-bis(4-chlorophenyl)-2-(phenylthio)hexa-2,4-dienoate
Alternate Name(s) (2Z,4E)-Methyl 4,5-bis(4-chlorophenyl)-2-(phenylthio)hexa-2,4-dienoate Methyl (2Z,4Z)-4,5-bis(4-chlorophenyl)-2-(phenylsulfanyl)-2,4-hexadienoate
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Formula C25H20Cl2O2S
InChI InChI=1S/C25H20Cl2O2S/c1-17(18-8-12-20(26)13-9-18)23(19-10-14-21(27)15-11-19)16-24(25(28)29-2)30-22-6-4-3-5-7-22/h3-16H,1-2H3/b23-17+,24-16-
InChIKey JATZHUBAKNRJDL-NVNGFOFISA-N
Molecular Weight 455.399 g/mol
SMILES C(\C(=C\C(=C/(c1ccc(cc1)Cl)C)c1ccc(cc1)Cl)Sc1ccccc1)(=O)OC
SPLASH splash10-0g4r-0070900000-62721afd7a15aaeadaa1
Source of Spectrum KC-0-842-15
Wiley ID 787765