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5-(2-(4-n-Butyl-1H-1,2,3-triazol-1-yl)-3-methylphenyl)furan-2-carboxylic acid ethyl ester
SpectraBase Compound ID 3fcuEKoTNiG
InChI InChI=1S/C20H23N3O3/c1-4-6-9-15-13-23(22-21-15)19-14(3)8-7-10-16(19)17-11-12-18(26-17)20(24)25-5-2/h7-8,10-13H,4-6,9H2,1-3H3
InChIKey JIKIAPGTUJJBKJ-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C20H23N3O3
Exact Mass 353.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoVJc3v7uqS
Name 5-(2-(4-n-Butyl-1H-1,2,3-triazol-1-yl)-3-methylphenyl)furan-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O3
InChI InChI=1S/C20H23N3O3/c1-4-6-9-15-13-23(22-21-15)19-14(3)8-7-10-16(19)17-11-12-18(26-17)20(24)25-5-2/h7-8,10-13H,4-6,9H2,1-3H3
InChIKey JIKIAPGTUJJBKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800773x
Molecular Weight 353.422 g/mol
SMILES c1(c(-[n]2cc(nn2)CCCC)c(-c2ccc(o2)C(OCC)=O)ccc1)C
SPLASH splash10-03yi-0971000000-5b9614eefc81f2e41ad8
Source of Spectrum A1-10-2299/SMS10-7i
Synonyms Ethyl 5-(2-(4-butyl-1H-1,2,3-triazol-1-yl)-3-methylphenyl)furan-2-carboxylate
Wiley ID 1759542