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2'-(4-Butyl-1,2,3-triazol-1-yl)-3'-methylbiphenyl-3-carboxylic acid methyl ester
SpectraBase Compound ID 5vaIzpAC25W
InChI InChI=1S/C21H23N3O2/c1-4-5-11-18-14-24(23-22-18)20-15(2)8-6-12-19(20)16-9-7-10-17(13-16)21(25)26-3/h6-10,12-14H,4-5,11H2,1-3H3
InChIKey IRRYSYMHAOJZPR-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 EZmih4RgyiS
Name 2'-(4-Butyl-1,2,3-triazol-1-yl)-3'-methylbiphenyl-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-4-5-11-18-14-24(23-22-18)20-15(2)8-6-12-19(20)16-9-7-10-17(13-16)21(25)26-3/h6-10,12-14H,4-5,11H2,1-3H3
InChIKey IRRYSYMHAOJZPR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cssc.200900014
Molecular Weight 349.434 g/mol
SMILES c1(cccc(C(=O)OC)c1)-c1c(c(ccc1)C)-[n]1nnc(c1)CCCC
SPLASH splash10-017i-1293000000-db8cd70b644efbc5d529
Source of Spectrum CSC-2-546/SM9-6f
Synonyms Methyl 2'-(4-butyl-1H-1,2,3-triazol-1-yl)-3'-methyl-[1,1'-biphenyl]-3-carboxylate
Wiley ID 1787292