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Ethyl 4-(4-butyl-1-phenyl-1H-1,2,3-triazol-5-yl)benzoate
SpectraBase Compound ID FXGyrTVmYr1
InChI InChI=1S/C21H23N3O2/c1-3-5-11-19-20(24(23-22-19)18-9-7-6-8-10-18)16-12-14-17(15-13-16)21(25)26-4-2/h6-10,12-15H,3-5,11H2,1-2H3
InChIKey JJTQBLZKLBRAEQ-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C21H23N3O2
Exact Mass 349.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jehYQY8eK3
Name Ethyl 4-(4-butyl-1-phenyl-1H-1,2,3-triazol-5-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-3-5-11-19-20(24(23-22-19)18-9-7-6-8-10-18)16-12-14-17(15-13-16)21(25)26-4-2/h6-10,12-15H,3-5,11H2,1-2H3
InChIKey JJTQBLZKLBRAEQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800016
Molecular Weight 349.434 g/mol
SMILES C(c1ccc(cc1)-c1c(nn[n]1-c1ccccc1)CCCC)(=O)OCC
SPLASH splash10-004i-3893000000-508bd564c58d479315f7
Source of Spectrum ASC-350-741/SM13-3an
Wiley ID 1766125