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({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

View entire compound with spectra: 1 MS (GC)

({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
SpectraBase Compound ID 7JSwbwziZdO
InChI InChI=1S/C17H15N3O3S/c21-14(22)11-24-17-19-18-16(15(23)12-7-3-1-4-8-12)20(17)13-9-5-2-6-10-13/h1-10,15,23H,11H2,(H,21,22)/p-1
InChIKey MWTWCAZCDSLFPQ-UHFFFAOYSA-M
Mol Weight 340.38 g/mol
Molecular Formula C17H14N3O3S
Exact Mass 340.075587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iekclCvYEb
Name ({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Alternate Name(s) [5-(hydroxy-phenyl-methyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid anion
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N3O3S
InChI InChI=1S/C17H15N3O3S/c21-14(22)11-24-17-19-18-16(15(23)12-7-3-1-4-8-12)20(17)13-9-5-2-6-10-13/h1-10,15,23H,11H2,(H,21,22)/p-1
InChIKey MWTWCAZCDSLFPQ-UHFFFAOYSA-M
Molecular Weight 340.377 g/mol
SMILES OC(c1[n](c(SCC([O-])=O)nn1)-c1ccccc1)c1ccccc1
SPLASH splash10-004i-7940000000-b02ec40bfd91a99848c9
Wiley ID 1452794