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2-Benzyl-N-(2-[1-benzyl-1H-1,2,3-triazol-4-yl]propan-2-yl)-3-(4-fluorophenyl)-2-methylpropanamide
SpectraBase Compound ID AD9v9l073v3
InChI InChI=1S/C29H31FN4O/c1-28(2,26-21-34(33-32-26)20-24-12-8-5-9-13-24)31-27(35)29(3,18-22-10-6-4-7-11-22)19-23-14-16-25(30)17-15-23/h4-17,21H,18-20H2,1-3H3,(H,31,35)
InChIKey NRRZIPGIUPANGO-UHFFFAOYSA-N
Mol Weight 470.59 g/mol
Molecular Formula C29H31FN4O
Exact Mass 470.24819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bA3sZ3FBaL
Name 2-Benzyl-N-(2-[1-benzyl-1H-1,2,3-triazol-4-yl]propan-2-yl)-3-(4-fluorophenyl)-2-methylpropanamide
Alternate Name(s) 2-Benzyl-N-(2-(1-benzyl-1H-1,2,3-triazol-4-yl)propan-2-yl)-3-(4-fluorophenyl)-2-methylpropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31FN4O
InChI InChI=1S/C29H31FN4O/c1-28(2,26-21-34(33-32-26)20-24-12-8-5-9-13-24)31-27(35)29(3,18-22-10-6-4-7-11-22)19-23-14-16-25(30)17-15-23/h4-17,21H,18-20H2,1-3H3,(H,31,35)
InChIKey NRRZIPGIUPANGO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201311024
Molecular Weight 470.592 g/mol
SMILES N(C(C)(C)c1c[n](nn1)Cc1ccccc1)C(C(Cc1ccc(cc1)F)(Cc1ccccc1)C)=O
SPLASH splash10-0006-9313100000-42ca04bf8fe8afa927dd
Source of Spectrum ACI-53-SMS38-8c
Wiley ID 1782270