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4-Butyl-1-(3',5'-dimethoxy-3-methylbiphenyl-2-yl)-1H-1,2,3-triazole
SpectraBase Compound ID HNkQE42ub1f
InChI InChI=1S/C21H25N3O2/c1-5-6-9-17-14-24(23-22-17)21-15(2)8-7-10-20(21)16-11-18(25-3)13-19(12-16)26-4/h7-8,10-14H,5-6,9H2,1-4H3
InChIKey XAXCSCBEYQGRKA-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C21H25N3O2
Exact Mass 351.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E58NDiJJjXj
Name 4-Butyl-1-(3',5'-dimethoxy-3-methylbiphenyl-2-yl)-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O2
InChI InChI=1S/C21H25N3O2/c1-5-6-9-17-14-24(23-22-17)21-15(2)8-7-10-20(21)16-11-18(25-3)13-19(12-16)26-4/h7-8,10-14H,5-6,9H2,1-4H3
InChIKey XAXCSCBEYQGRKA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cssc.200900014
Molecular Weight 351.450 g/mol
SMILES c1[n](nnc1CCCC)-c1c(cccc1C)-c1cc(cc(c1)OC)OC
SPLASH splash10-001i-0094000000-cbc05b3cf520aced790b
Source of Spectrum CSC-2-546/SM12-6j
Synonyms 4-Butyl-1-(3',5'-dimethoxy-3-methyl-[1,1'-biphenyl]-2-yl)-1H-1,2,3-triazole
Wiley ID 1787293