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4-(4-Chlorophenyl)-5-((5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)imino)-N-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide
SpectraBase Compound ID JzMRlSi3sfn
InChI InChI=1S/C23H14Cl2N6O2S/c24-15-8-6-14(7-9-15)20-28-29-22(33-20)27-23-31(18-12-10-16(25)11-13-18)30-21(34-23)19(32)26-17-4-2-1-3-5-17/h1-13H,(H,26,32)
InChIKey GUQXUIHSWRAWTQ-UHFFFAOYSA-N
Mol Weight 509.37 g/mol
Molecular Formula C23H14Cl2N6O2S
Exact Mass 508.0276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFkhoXPirhl
Name 4-(4-Chlorophenyl)-5-((5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)imino)-N-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.027600287 u
Formula C23H14Cl2N6O2S
InChI InChI=1S/C23H14Cl2N6O2S/c24-15-8-6-14(7-9-15)20-28-29-22(33-20)27-23-31(18-12-10-16(25)11-13-18)30-21(34-23)19(32)26-17-4-2-1-3-5-17/h1-13H,(H,26,32)
InChIKey GUQXUIHSWRAWTQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2250
Molecular Weight 509.371 g/mol
Quality 46
SMILES N(C(C1=NN(C(=NC2=NN=C(C3=CC=C(Cl)C=C3)O2)S1)C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1
SPLASH splash10-004i-9460030000-cdd3f127fa5857af5778
Source of Spectrum Y-52-1404-19c (DOI: 10.1002/jhet.2250)
Wiley ID 1902537