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Ethyl 5-(5-acetyl-4-methylthiazol-2-ylimino)-4-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxylate
SpectraBase Compound ID J0831jBVIRq
InChI InChI=1S/C17H15ClN4O3S2/c1-4-25-15(24)14-21-22(12-7-5-11(18)6-8-12)17(27-14)20-16-19-9(2)13(26-16)10(3)23/h5-8H,4H2,1-3H3
InChIKey DDYZXXWGZPHCNM-UHFFFAOYSA-N
Mol Weight 422.91 g/mol
Molecular Formula C17H15ClN4O3S2
Exact Mass 422.02741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdqWvS5KMXo
Name Ethyl 5-(5-acetyl-4-methylthiazol-2-ylimino)-4-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClN4O3S2
InChI InChI=1S/C17H15ClN4O3S2/c1-4-25-15(24)14-21-22(12-7-5-11(18)6-8-12)17(27-14)20-16-19-9(2)13(26-16)10(3)23/h5-8H,4H2,1-3H3
InChIKey DDYZXXWGZPHCNM-UHFFFAOYSA-N
Instrument Name GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2327
Molecular Weight 422.905 g/mol
SMILES c1(sc(nc1C)N=C1SC(=NN1c1ccc(cc1)Cl)C(=O)OCC)C(=O)C
SPLASH splash10-00fr-3600900000-ef265571f8ae606aaba4
Source of Spectrum Y-53-511-6e
Wiley ID 1877637