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[3-(5-Butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl]-phenylmethanone
SpectraBase Compound ID CC3uXAoRtLX
InChI InChI=1S/C26H25N3O/c1-3-4-16-23-25(29(28-27-23)24-17-9-8-11-19(24)2)21-14-10-15-22(18-21)26(30)20-12-6-5-7-13-20/h5-15,17-18H,3-4,16H2,1-2H3
InChIKey PIOKZAKMMVNCCU-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 986DJDsaF15
Name [3-(5-Butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl]-phenylmethanone
Alternate Name(s) (3-(4-butyl-1-(o-tolyl)-1H-1,2,3-triazol-5-yl)phenyl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3O
InChI InChI=1S/C26H25N3O/c1-3-4-16-23-25(29(28-27-23)24-17-9-8-11-19(24)2)21-14-10-15-22(18-21)26(30)20-12-6-5-7-13-20/h5-15,17-18H,3-4,16H2,1-2H3
InChIKey PIOKZAKMMVNCCU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800016
Molecular Weight 395.506 g/mol
SMILES C(=O)(c1ccccc1)c1cc(ccc1)-c1[n](nnc1CCCC)-c1c(cccc1)C
SPLASH splash10-0avi-7729000000-7dd8795846ad15b26761
Source of Spectrum ASC-350-741/SM19-3aw
Wiley ID 1766132