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1,8a-Dihydro-1-(4'-nitrophenyl)-3-(4'-chlorophenyl)-1,2,4-triazolo[4,3-a]pyrimidine
SpectraBase Compound ID oQtUfdNAoI
InChI InChI=1S/C17H12ClN5O2/c18-13-4-2-12(3-5-13)16-20-22(17-19-10-1-11-21(16)17)14-6-8-15(9-7-14)23(24)25/h1-11,17H
InChIKey DWKSXJQZWJCCJJ-UHFFFAOYSA-N
Mol Weight 353.77 g/mol
Molecular Formula C17H12ClN5O2
Exact Mass 353.067952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwhXhqjabcJ
Name 1,8a-Dihydro-1-(4'-nitrophenyl)-3-(4'-chlorophenyl)-1,2,4-triazolo[4,3-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClN5O2
InChI InChI=1S/C17H12ClN5O2/c18-13-4-2-12(3-5-13)16-20-22(17-19-10-1-11-21(16)17)14-6-8-15(9-7-14)23(24)25/h1-11,17H
InChIKey DWKSXJQZWJCCJJ-UHFFFAOYSA-N
Molecular Weight 353.769 g/mol
SMILES C12N(C(=NN2c2ccc(N(=O)=O)cc2)c2ccc(cc2)Cl)C=CC=N1
SPLASH splash10-0fkc-5597000000-8ac4b314dd9f3fedf2d3
Source of Spectrum U-1994-1010-5
Synonyms 3-(4-Chlorophenyl)-1-(4-nitrophenyl)-1,8a-dihydro[1,2,4]triazolo[4,3-a]pyrimidine
Wiley ID 766172