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3-(4-CHLOROPHENYL)-2-CYANO-4-(5-METHYL-3-PHENETHYLTHIAZOLIN-2-YLIDENE)-BUT-2-ENENITRILE
SpectraBase Compound ID JfSdNS4pyaX
InChI InChI=1S/C23H18ClN3S/c1-17-16-27(12-11-18-5-3-2-4-6-18)23(28-17)13-22(20(14-25)15-26)19-7-9-21(24)10-8-19/h2-10,13,16H,11-12H2,1H3/b23-13-
InChIKey ONGRJHRQEVRPKT-QRVIBDJDSA-N
Mol Weight 403.93 g/mol
Molecular Formula C23H18ClN3S
Exact Mass 403.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fr4h4AnuZrD
Name 2-[(2Z)-1-(4-chlorophenyl)-2-(5-methyl-3-phenethyl-4-thiazolin-2-ylidene)ethylidene]malononitrile
Comments Less than 3 mono-isotopic peaks
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Formula C23H18ClN3S
InChI InChI=1S/C23H18ClN3S/c1-17-16-27(12-11-18-5-3-2-4-6-18)23(28-17)13-22(20(14-25)15-26)19-7-9-21(24)10-8-19/h2-10,13,16H,11-12H2,1H3/b23-13-
InChIKey ONGRJHRQEVRPKT-QRVIBDJDSA-N
Molecular Weight 403.931 g/mol
SMILES C(\C=C\1N(C=C(S1)C)CCc1ccccc1)(=C(C#N)C#N)c1ccc(cc1)Cl
SPLASH splash10-0udi-0900000000-99c41ccf92f3f4c0dc16
Source of Spectrum Y-35-52-6
Synonyms 2-[(2Z)-1-(4-chlorophenyl)-2-[5-methyl-3-(2-phenylethyl)-2-thiazolylidene]ethylidene]propanedinitrile 2-[(2Z)-1-(4-chlorophenyl)-2-[5-methyl-3-(2-phenylethyl)thiazol-2-ylidene]ethylidene]propanedinitrile
Wiley ID 1370895