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4-{4-n-Hexyl-1-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl}benzoic acid ethyl ester
SpectraBase Compound ID KW0H6yq6oXN
InChI InChI=1S/C24H29N3O3/c1-4-6-7-8-9-22-23(18-10-12-19(13-11-18)24(28)30-5-2)27(26-25-22)20-14-16-21(29-3)17-15-20/h10-17H,4-9H2,1-3H3
InChIKey MBDWRNAGHIKYFI-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C24H29N3O3
Exact Mass 407.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMLnNLjs5od
Name 4-{4-n-Hexyl-1-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl}benzoic acid ethyl ester
Alternate Name(s) Ethyl 4-(4-hexyl-1-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29N3O3
InChI InChI=1S/C24H29N3O3/c1-4-6-7-8-9-22-23(18-10-12-19(13-11-18)24(28)30-5-2)27(26-25-22)20-14-16-21(29-3)17-15-20/h10-17H,4-9H2,1-3H3
InChIKey MBDWRNAGHIKYFI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9020354
Molecular Weight 407.514 g/mol
SMILES c1c(-[n]2nnc(c2-c2ccc(cc2)C(OCC)=O)CCCCCC)ccc(c1)OC
SPLASH splash10-0a7i-1819000000-96a22d94a966a34c9b38
Source of Spectrum A1-11-4922/SMS11-3k
Wiley ID 1760123