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1,7-Diphenyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 9CrRcZUTMLo
InChI InChI=1S/C20H18N4O2/c1-2-26-19(25)18-22-24(16-11-7-4-8-12-16)20-21-17(13-14-23(18)20)15-9-5-3-6-10-15/h3-14,20H,2H2,1H3
InChIKey QBAZHSKZYSYWKK-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C20H18N4O2
Exact Mass 346.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFoqcwNQ1r5
Name 1,7-Diphenyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-carboxylic acid, ethyl ester
Alternate Name(s) 1,7-Diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester Ethyl 1,7-diphenyl-1,8a-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Ethyl 1,7-diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
CAS Registry Number 165947-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O2
InChI InChI=1S/C20H18N4O2/c1-2-26-19(25)18-22-24(16-11-7-4-8-12-16)20-21-17(13-14-23(18)20)15-9-5-3-6-10-15/h3-14,20H,2H2,1H3
InChIKey QBAZHSKZYSYWKK-UHFFFAOYSA-N
Molecular Weight 346.390 g/mol
SMILES C12N=C(C=CN2C(=NN1c1ccccc1)C(=O)OCC)c1ccccc1
SPLASH splash10-0007-9004000000-17d6770ce070bd29f1df
Source of Spectrum U-1994-1010-7
Wiley ID 766169