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[2'-(4-n-Butyl-1,2,3-triazol-1-yl)-3'-methylbiphenyl-4-yl]-phenylmethanone

View entire compound with spectra: 1 MS (GC)

[2'-(4-n-Butyl-1,2,3-triazol-1-yl)-3'-methylbiphenyl-4-yl]-phenylmethanone
SpectraBase Compound ID EkW8BFzNlsi
InChI InChI=1S/C26H25N3O/c1-3-4-12-23-18-29(28-27-23)25-19(2)9-8-13-24(25)20-14-16-22(17-15-20)26(30)21-10-6-5-7-11-21/h5-11,13-18H,3-4,12H2,1-2H3
InChIKey XRXYDWRIUZMKSI-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 DGE0KJS5Mdh
Name [2'-(4-n-Butyl-1,2,3-triazol-1-yl)-3'-methylbiphenyl-4-yl]-phenylmethanone
Alternate Name(s) (2'-(4-butyl-1H-1,2,3-triazol-1-yl)-3'-methyl-[1,1'-biphenyl]-4-yl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3O
InChI InChI=1S/C26H25N3O/c1-3-4-12-23-18-29(28-27-23)25-19(2)9-8-13-24(25)20-14-16-22(17-15-20)26(30)21-10-6-5-7-11-21/h5-11,13-18H,3-4,12H2,1-2H3
InChIKey XRXYDWRIUZMKSI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800773x
Molecular Weight 395.506 g/mol
SMILES c1(C)c(-[n]2cc(nn2)CCCC)c(ccc1)-c1ccc(cc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-2916000000-0bbb88f0682e0a327b24
Source of Spectrum A1-10-2299/SMS7-7d
Wiley ID 1759539