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5-phenyl-4-[(phenylmethylidene)amino]-4H-1,2,4-triazole-3-thiol chlorocopper trihydrate chloride
SpectraBase Compound ID 8zBvxANQNB3
InChI InChI=1S/C15H12N4S.2ClH.Cu.3O/c20-15-18-17-14(13-9-5-2-6-10-13)19(15)16-11-12-7-3-1-4-8-12;;;;;;/h1-11H,(H,18,20);2*1H;;;;/q;;;+1;;;/p-2
InChIKey GQHXCGCASKIUAC-UHFFFAOYSA-L
Mol Weight 462.798 g/mol
Molecular Formula C15H12Cl2CuN4O3S
Exact Mass 460.930314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoAVKMc78P0
Name 5-phenyl-4-[(phenylmethylidene)amino]-4H-1,2,4-triazole-3-thiol chlorocopper trihydrate chloride
Appearance Dark green solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18Cl2CuN4O3S
InChI InChI=1S/C15H12N4S.2ClH.Cu.3O/c20-15-18-17-14(13-9-5-2-6-10-13)19(15)16-11-12-7-3-1-4-8-12;;;;;;/h1-11H,(H,18,20);2*1H;;;;/q;;;+1;;;/p-2
InChIKey GQHXCGCASKIUAC-UHFFFAOYSA-L
Instrument Name Hewlett-Packard MS-5988
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6219
Molecular Weight 468.846 g/mol
SMILES Sc1nnc([n]1N=Cc1ccccc1)-c1ccccc1.[Cl-].Cl[Cu].O.O.O
SPLASH splash10-0ufr-9300000000-21cf7bb6832c863e8c92
Source of Spectrum AOC-35-SM7-Fig. 6
Wiley ID 1866460