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1-Phenyl-3-(p-methoxyphenyl)-5-cyano-1,2,4-triazole
SpectraBase Compound ID 4CVSvs9zH6
InChI InChI=1S/C16H12N4O/c1-21-14-9-7-12(8-10-14)16-18-15(11-17)20(19-16)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey PHKLCFVMMXYUSX-UHFFFAOYSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeGeemCiWZ4
Name 1-Phenyl-3-(p-methoxyphenyl)-5-cyano-1,2,4-triazole
Alternate Name(s) 3-(4-Methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c1-21-14-9-7-12(8-10-14)16-18-15(11-17)20(19-16)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey PHKLCFVMMXYUSX-UHFFFAOYSA-N
Molecular Weight 276.299 g/mol
SMILES c1([n](nc(n1)-c1ccc(cc1)OC)-c1ccccc1)C#N
SPLASH splash10-004i-6290000000-68e22e1ce951d425cd69
Source of Spectrum HC-23-807-0
Wiley ID 1280080