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[4-(5-Butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl]-phenyl-methanone

View entire compound with spectra: 2 MS (GC)

[4-(5-Butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl]-phenyl-methanone
SpectraBase Compound ID 9tXsfFZOSS4
InChI InChI=1S/C26H25N3O/c1-3-4-13-23-25(29(28-27-23)24-14-9-8-10-19(24)2)20-15-17-22(18-16-20)26(30)21-11-6-5-7-12-21/h5-12,14-18H,3-4,13H2,1-2H3
InChIKey MXCBGOTTZYEZMV-UHFFFAOYSA-N
Mol Weight 395.51 g/mol
Molecular Formula C26H25N3O
Exact Mass 395.199762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mG1ysYiXcL
Name [4-(5-Butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl]-phenyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3O
InChI InChI=1S/C26H25N3O/c1-3-4-13-23-25(29(28-27-23)24-14-9-8-10-19(24)2)20-15-17-22(18-16-20)26(30)21-11-6-5-7-12-21/h5-12,14-18H,3-4,13H2,1-2H3
InChIKey MXCBGOTTZYEZMV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9020354
Molecular Weight 395.506 g/mol
SMILES c1(C)c(-[n]2nnc(CCCC)c2-c2ccc(cc2)C(=O)c2ccccc2)cccc1
SPLASH splash10-0avi-7729000000-7dd8795846ad15b26761
Source of Spectrum A1-11-4922/SMS12-3l
Synonyms {4-(4-n-Butyl-1-o-tolyl-1H-1,2,3-triazol-5-yl)phenyl}(phenyl)methanone (4-(4-butyl-1-(o-tolyl)-1H-1,2,3-triazol-5-yl)phenyl)(phenyl)methanone [4-[5-butyl-3-(2-methylphenyl)-4-triazolyl]phenyl]-phenylmethanone [4-[5-butyl-3-(2-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone [4-[5-butyl-3-(2-methylphenyl)-1,2,3-triazol-4-yl]phenyl]-phenyl-methanone
Wiley ID 1760124