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2-Phenyl-2'-(4-chlorophenyl)-2H,2'H-[4,4']bi[[1,2,4]-triazolyl]-3,3'-dione

View entire compound with spectra: 1 MS (GC)

2-Phenyl-2'-(4-chlorophenyl)-2H,2'H-[4,4']bi[[1,2,4]-triazolyl]-3,3'-dione
SpectraBase Compound ID KRJYUOH5oxS
InChI InChI=1S/C16H11ClN6O2/c17-12-6-8-14(9-7-12)23-16(25)21(11-19-23)20-10-18-22(15(20)24)13-4-2-1-3-5-13/h1-11H
InChIKey WPGOZIYCWBTWBV-UHFFFAOYSA-N
Mol Weight 354.76 g/mol
Molecular Formula C16H11ClN6O2
Exact Mass 354.063201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dvf1RVqn0mb
Name 2-Phenyl-2'-(4-chlorophenyl)-2H,2'H-[4,4']bi[[1,2,4]-triazolyl]-3,3'-dione
Alternate Name(s) 2-(4-Chlorophenyl)-2'-phenyl-[4,4'-bi(1,2,4-triazole)]-3,3'(2H,2'H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN6O2
InChI InChI=1S/C16H11ClN6O2/c17-12-6-8-14(9-7-12)23-16(25)21(11-19-23)20-10-18-22(15(20)24)13-4-2-1-3-5-13/h1-11H
InChIKey WPGOZIYCWBTWBV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200144
Molecular Weight 354.757 g/mol
SMILES C1(N(N=CN1N1C(N(N=C1)c1ccc(cc1)Cl)=O)c1ccccc1)=O
SPLASH splash10-116r-4309000000-da52fa3f65584aae54f7
Source of Spectrum QA-49-1011-4ab
Wiley ID 1795667