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5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester
SpectraBase Compound ID BL8938u8S39
InChI InChI=1S/C22H19N3O3S/c1-15-19(21(26)27-2)13-18(28-15)14-29-22-24-23-20(16-9-5-3-6-10-16)25(22)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
InChIKey FOGKBHDSGHKLCC-UHFFFAOYSA-N
Mol Weight 405.47 g/mol
Molecular Formula C22H19N3O3S
Exact Mass 405.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tc2JovM4Od
Name 5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester
Alternate Name(s) 5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Methyl 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N3O3S
InChI InChI=1S/C22H19N3O3S/c1-15-19(21(26)27-2)13-18(28-15)14-29-22-24-23-20(16-9-5-3-6-10-16)25(22)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
InChIKey FOGKBHDSGHKLCC-UHFFFAOYSA-N
Molecular Weight 405.472 g/mol
SMILES c1(nnc([n]1-c1ccccc1)-c1ccccc1)SCc1cc(c(o1)C)C(OC)=O
SPLASH splash10-0udi-9830000000-e479583edaf491577351
Wiley ID 1512152