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3,7-Diphenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
SpectraBase Compound ID ADeFTE7PbQ4
InChI InChI=1S/C16H11N5/c1-3-7-12(8-4-1)14-15-16(18-11-17-14)21(20-19-15)13-9-5-2-6-10-13/h1-11H
InChIKey VNUYSJKEJOMBEV-UHFFFAOYSA-N
Mol Weight 273.3 g/mol
Molecular Formula C16H11N5
Exact Mass 273.101445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf8ADztVjLp
Name 3,7-Diphenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CAS Registry Number 74136-42-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5
InChI InChI=1S/C16H11N5/c1-3-7-12(8-4-1)14-15-16(18-11-17-14)21(20-19-15)13-9-5-2-6-10-13/h1-11H
InChIKey VNUYSJKEJOMBEV-UHFFFAOYSA-N
Molecular Weight 273.299 g/mol
SMILES c12nn[n](c2ncnc1-c1ccccc1)-c1ccccc1
SPLASH splash10-0007-0290000000-3225d6e0971487043bff
Source of Spectrum QF-39-1260-0
Synonyms 3,7-Diphenyl-[1,2,3]triazolo[4,5-d]pyrimidine 3,7-Diphenyltriazolo[4,5-d]pyrimidine 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 1,4-diphenyl-
Wiley ID 832262