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Ethyl 4-(1-octyl-4-phenyl-1H-1,2,3-triazol-5-yl)benzoate
SpectraBase Compound ID 3BHruFYm7zI
InChI InChI=1S/C25H31N3O2/c1-3-5-6-7-8-12-19-28-24(23(26-27-28)20-13-10-9-11-14-20)21-15-17-22(18-16-21)25(29)30-4-2/h9-11,13-18H,3-8,12,19H2,1-2H3
InChIKey SHMQCTACJHSOGI-UHFFFAOYSA-N
Mol Weight 405.54 g/mol
Molecular Formula C25H31N3O2
Exact Mass 405.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VMu7Z5s79M
Name Ethyl 4-(1-octyl-4-phenyl-1H-1,2,3-triazol-5-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O2
InChI InChI=1S/C25H31N3O2/c1-3-5-6-7-8-12-19-28-24(23(26-27-28)20-13-10-9-11-14-20)21-15-17-22(18-16-21)25(29)30-4-2/h9-11,13-18H,3-8,12,19H2,1-2H3
InChIKey SHMQCTACJHSOGI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800016
Molecular Weight 405.542 g/mol
SMILES C(c1ccc(cc1)-c1c(nn[n]1CCCCCCCC)-c1ccccc1)(=O)OCC
SPLASH splash10-014i-0090400000-fe9841e25e815a46ea84
Source of Spectrum ASC-350-741/SM9-3ai
Wiley ID 1766120