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3-(4-Methylphenyl)-1-(4-nitrophenyl)-5-[N-(5-methylamino)pentyl]1,2,4-triazole
SpectraBase Compound ID BEIYK0BB7GW
InChI InChI=1S/C21H25N5O2/c1-16-7-9-17(10-8-16)21-23-20(6-4-3-5-15-22-2)25(24-21)18-11-13-19(14-12-18)26(27)28/h7-14,22H,3-6,15H2,1-2H3
InChIKey DZIXNKZVARQBOX-UHFFFAOYSA-N
Mol Weight 379.46 g/mol
Molecular Formula C21H25N5O2
Exact Mass 379.200825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCWkvorkO6t
Name 3-(4-Methylphenyl)-1-(4-nitrophenyl)-5-[N-(5-methylamino)pentyl]1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N5O2
InChI InChI=1S/C21H25N5O2/c1-16-7-9-17(10-8-16)21-23-20(6-4-3-5-15-22-2)25(24-21)18-11-13-19(14-12-18)26(27)28/h7-14,22H,3-6,15H2,1-2H3
InChIKey DZIXNKZVARQBOX-UHFFFAOYSA-N
Molecular Weight 379.464 g/mol
SMILES N(CCCCCc1[n](nc(n1)-c1ccc(cc1)C)-c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0006-9004000000-ffe37061447001a8dd44
Source of Spectrum SO-0-676-17
Synonyms N-methyl-5-[3-(4-methylphenyl)-1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-1-pentanamine N-methyl-N-{5-[3-(4-methylphenyl)-1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]pentyl}amine
Wiley ID 1540999