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5-veratryl-4-(2,5-xylyl)-4H-1,2,4-triazol-3-thiol

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

5-veratryl-4-(2,5-xylyl)-4H-1,2,4-triazol-3-thiol
SpectraBase Compound ID BfalfZhuGhH
InChI InChI=1S/C19H21N3O2S/c1-12-5-6-13(2)15(9-12)22-18(20-21-19(22)25)11-14-7-8-16(23-3)17(10-14)24-4/h5-10H,11H2,1-4H3,(H,21,25)
InChIKey WGSJKPCYVZBLOX-UHFFFAOYSA-N
Mol Weight 355.46 g/mol
Molecular Formula C19H21N3O2S
Exact Mass 355.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KgJ8bwKHatB
Name 5-VERATRYL-4-(2,5-XYLYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O2S
InChI InChI=1S/C19H21N3O2S/c1-12-5-6-13(2)15(9-12)22-18(20-21-19(22)25)11-14-7-8-16(23-3)17(10-14)24-4/h5-10H,11H2,1-4H3,(H,21,25)
InChIKey WGSJKPCYVZBLOX-UHFFFAOYSA-N
Molecular Weight 355.46
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20