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(2E,4E)-4,5-dimethyl-6-(m-tolylthio)hexa-2,4-dienoic acid methyl ester
SpectraBase Compound ID A82wfIvLSU2
InChI InChI=1S/C16H20O2S/c1-12-6-5-7-15(10-12)19-11-14(3)13(2)8-9-16(17)18-4/h5-10H,11H2,1-4H3/b9-8+,14-13+
InChIKey DTNAXGLFBATHRW-VQDFZMDMSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IIMm4kIoa9
Name (2E,4E)-4,5-dimethyl-6-(m-tolylthio)hexa-2,4-dienoic acid methyl ester
Alternate Name(s) (2E,4E)-4,5-dimethyl-6-[(3-methylphenyl)thio]hexa-2,4-dienoic acid methyl ester Methyl (2E,4E)-4,5-dimethyl-6-(3-methylphenyl)sulfanyl-hexa-2,4-dienoate Methyl (2E,4E)-4,5-dimethyl-6-(m-tolylsulfanyl)hexa-2,4-dienoate
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Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-12-6-5-7-15(10-12)19-11-14(3)13(2)8-9-16(17)18-4/h5-10H,11H2,1-4H3/b9-8+,14-13+
InChIKey DTNAXGLFBATHRW-VQDFZMDMSA-N
Molecular Weight 276.394 g/mol
SMILES C(\C(=C\(\C=C\C(=O)OC)C)C)Sc1cc(C)ccc1
SPLASH splash10-000f-9720000000-5d7ddf6939f32927308f
Source of Spectrum KC-0-840-4
Wiley ID 787780