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N,3-Bis(4-chlorobenzyl)-5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2(3H)-imine
SpectraBase Compound ID 5kIpXZ4DwGE
InChI InChI=1S/C24H19Cl2N3S2/c25-20-10-6-17(7-11-20)14-27-24-28(15-18-8-12-21(26)13-9-18)29-22(31-24)16-30-23(29)19-4-2-1-3-5-19/h1-13,16,23H,14-15H2
InChIKey DEENPTRRPGOWCM-UHFFFAOYSA-N
Mol Weight 484.46 g/mol
Molecular Formula C24H19Cl2N3S2
Exact Mass 483.039745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dd8PjX6lzX
Name N,3-Bis(4-chlorobenzyl)-5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2(3H)-imine
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19Cl2N3S2
InChI InChI=1S/C24H19Cl2N3S2/c25-20-10-6-17(7-11-20)14-27-24-28(15-18-8-12-21(26)13-9-18)29-22(31-24)16-30-23(29)19-4-2-1-3-5-19/h1-13,16,23H,14-15H2
InChIKey DEENPTRRPGOWCM-UHFFFAOYSA-N
Instrument Name Kratos or Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2826
Molecular Weight 484.463 g/mol
SMILES c1(Cl)ccc(cc1)CN=C1N(N2C(S1)=CSC2c1ccccc1)Cc1ccc(Cl)cc1
SPLASH splash10-0006-9020000000-66f23a41fa9fedf1fa1d
Source of Spectrum Y-54-2364-6
Thin-Layer Chromatography Rf = 0.42 (pet. Ether(60-80)/ethyl acetate, 4:1)
Wiley ID 1878447