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1,1'(Phenylene)bis(3-acetyl-5-dicyanomethylene-4-phenyl-1,2,4-triazole)
SpectraBase Compound ID 9PsMejTYgkw
InChI InChI=1S/C32H20N10O2/c1-21(43)29-37-41(31(23(17-33)18-34)39(29)25-10-5-3-6-11-25)27-14-9-15-28(16-27)42-32(24(19-35)20-36)40(30(38-42)22(2)44)26-12-7-4-8-13-26/h3-16H,1-2H3
InChIKey CDNOHTXDLYCJCC-UHFFFAOYSA-N
Mol Weight 576.6 g/mol
Molecular Formula C32H20N10O2
Exact Mass 576.17707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF6q9SqLdwP
Name 1,1'(Phenylene)bis(3-acetyl-5-dicyanomethylene-4-phenyl-1,2,4-triazole)
Appearance Pale violet solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H20N10O2
InChI InChI=1S/C32H20N10O2/c1-21(43)29-37-41(31(23(17-33)18-34)39(29)25-10-5-3-6-11-25)27-14-9-15-28(16-27)42-32(24(19-35)20-36)40(30(38-42)22(2)44)26-12-7-4-8-13-26/h3-16H,1-2H3
InChIKey CDNOHTXDLYCJCC-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2320
Molecular Weight 576.580 g/mol
SMILES c1(cc(ccc1)N1N=C(N(C1=C(C#N)C#N)c1ccccc1)C(=O)C)N1C(N(C(=N1)C(C)=O)c1ccccc1)=C(C#N)C#N
SPLASH splash10-00or-9033250000-1a093f4e035bdedcbe0d
Source of Spectrum Y-53-261-21
Wiley ID 1876292