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4-(3,5-Diphenyl-4H-1,2,4-triazol-4-yl)phthalonitrile
SpectraBase Compound ID GeqA2LfS43Y
InChI InChI=1S/C22H13N5/c23-14-18-11-12-20(13-19(18)15-24)27-21(16-7-3-1-4-8-16)25-26-22(27)17-9-5-2-6-10-17/h1-13H
InChIKey SXYLUHXVLAHSNH-UHFFFAOYSA-N
Mol Weight 347.38 g/mol
Molecular Formula C22H13N5
Exact Mass 347.117095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HExL8MNe65t
Name 4-(3,5-Diphenyl-4H-1,2,4-triazol-4-yl)phthalonitrile
CAS Registry Number 287916-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13N5
InChI InChI=1S/C22H13N5/c23-14-18-11-12-20(13-19(18)15-24)27-21(16-7-3-1-4-8-16)25-26-22(27)17-9-5-2-6-10-17/h1-13H
InChIKey SXYLUHXVLAHSNH-UHFFFAOYSA-N
Molecular Weight 347.381 g/mol
SMILES c1ccc(-c2[n](c(nn2)-c2ccccc2)-c2cc(C#N)c(C#N)cc2)cc1
SPLASH splash10-0f6x-9741000000-24166463cae503f853ec
Source of Spectrum AD-0-2532-0
Synonyms 4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile 4-(3,5-diphenyl-1,2,4-triazol-4-yl)phthalonitrile Benzene-1,2-dicarbonitrile, 4-(3,5-diphenyl-1,2,4-triazol-4-yl)-
Wiley ID 1425450