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Benzonitrile, 3-[4-allyl-5-(2-hydroxyphenyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-

View entire compound with spectra: 1 MS (GC)

Benzonitrile, 3-[4-allyl-5-(2-hydroxyphenyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-
SpectraBase Compound ID CSJgWTKhipN
InChI InChI=1S/C19H16N4OS/c1-2-10-23-18(16-8-3-4-9-17(16)24)21-22-19(23)25-13-15-7-5-6-14(11-15)12-20/h2-9,11,24H,1,10,13H2
InChIKey WQBPTKNUZRHSMH-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C19H16N4OS
Exact Mass 348.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5FkD7KWETA
Name Benzonitrile, 3-[4-allyl-5-(2-hydroxyphenyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4OS
InChI InChI=1S/C19H16N4OS/c1-2-10-23-18(16-8-3-4-9-17(16)24)21-22-19(23)25-13-15-7-5-6-14(11-15)12-20/h2-9,11,24H,1,10,13H2
InChIKey WQBPTKNUZRHSMH-UHFFFAOYSA-N
Molecular Weight 348.424 g/mol
SMILES Oc1ccccc1-c1nnc([n]1CC=C)SCc1cc(ccc1)C#N
SPLASH splash10-00lu-9541000000-217cd596de0255bebf94
Wiley ID 1438953