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Ethyl 5-(5-acetyl-4-methylthiazol-2-ylimino)-4-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxylate
SpectraBase Compound ID 1mxx5LPAZHe
InChI InChI=1S/C18H18N4O3S2/c1-5-25-16(24)15-21-22(13-8-6-10(2)7-9-13)18(27-15)20-17-19-11(3)14(26-17)12(4)23/h6-9H,5H2,1-4H3
InChIKey RKJGMIYCNGWMFP-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C18H18N4O3S2
Exact Mass 402.082033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B17BqT9RUnI
Name Ethyl 5-(5-acetyl-4-methylthiazol-2-ylimino)-4-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxylate
Appearance Yellow solid
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Formula C18H18N4O3S2
InChI InChI=1S/C18H18N4O3S2/c1-5-25-16(24)15-21-22(13-8-6-10(2)7-9-13)18(27-15)20-17-19-11(3)14(26-17)12(4)23/h6-9H,5H2,1-4H3
InChIKey RKJGMIYCNGWMFP-UHFFFAOYSA-N
Instrument Name GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2327
Molecular Weight 402.487 g/mol
SMILES c1(sc(nc1C)N=C1SC(=NN1c1ccc(cc1)C)C(=O)OCC)C(=O)C
SPLASH splash10-0pb9-9603700000-3982a02a2dbeed78fd9a
Source of Spectrum Y-53-511-6f
Wiley ID 1877638