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5-Amino-bis(2-p-chlorophenyl-2,4-dihydro-1,2,4-triazol-3-one-4-yl)
SpectraBase Compound ID 8fwZ9lFPpYs
InChI InChI=1S/C16H11Cl2N7O2/c17-10-1-5-12(6-2-10)23-15(26)22(9-20-23)25-14(19)21-24(16(25)27)13-7-3-11(18)4-8-13/h1-9H,(H2,19,21)
InChIKey MNQOUBKFYHDETN-UHFFFAOYSA-N
Mol Weight 404.22 g/mol
Molecular Formula C16H11Cl2N7O2
Exact Mass 403.035128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eLIow6uOpZ
Name 5-Amino-bis(2-p-chlorophenyl-2,4-dihydro-1,2,4-triazol-3-one-4-yl)
Alternate Name(s) 5-Amino-2,2'-bis(4-chlorophenyl)-[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 C16H11Cl2N7O2
InChI InChI=1S/C16H11Cl2N7O2/c17-10-1-5-12(6-2-10)23-15(26)22(9-20-23)25-14(19)21-24(16(25)27)13-7-3-11(18)4-8-13/h1-9H,(H2,19,21)
InChIKey MNQOUBKFYHDETN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200037
Molecular Weight 404.217 g/mol
SMILES NC1=NN(C(N1N1C=NN(C1=O)c1ccc(cc1)Cl)=O)c1ccc(cc1)Cl
SPLASH splash10-01ox-0719000000-b25d247e82d4516ce0db
Source of Spectrum QA-49-249-11c
Wiley ID 1795558