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3-(5-Butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-benzoic acid methyl ester
SpectraBase Compound ID EaWYnruEoOQ
InChI InChI=1S/C21H23N3O2/c1-4-5-12-18-20(16-10-8-11-17(14-16)21(25)26-3)24(23-22-18)19-13-7-6-9-15(19)2/h6-11,13-14H,4-5,12H2,1-3H3
InChIKey IDLNLNLCDZJNRU-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 98p8Xq4476z
Name 3-(5-Butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-4-5-12-18-20(16-10-8-11-17(14-16)21(25)26-3)24(23-22-18)19-13-7-6-9-15(19)2/h6-11,13-14H,4-5,12H2,1-3H3
InChIKey IDLNLNLCDZJNRU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800016
Molecular Weight 349.434 g/mol
SMILES C(c1cc(ccc1)-c1[n](nnc1CCCC)-c1c(cccc1)C)(=O)OC
SPLASH splash10-00ou-6692000000-70ff6328fc29212900bf
Source of Spectrum ASC-350-741/SM17-3at
Synonyms Methyl 3-(4-butyl-1-(o-tolyl)-1H-1,2,3-triazol-5-yl)benzoate 3-[5-butyl-3-(2-methylphenyl)-4-triazolyl]benzoic acid methyl ester Methyl 3-[5-butyl-3-(2-methylphenyl)triazol-4-yl]benzoate Methyl 3-[5-butyl-3-(o-tolyl)triazol-4-yl]benzoate Methyl 3-[5-butyl-3-(2-methylphenyl)-1,2,3-triazol-4-yl]benzoate
Wiley ID 1766130