For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(3,4-Dimethyl-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 38B1SRKB8Hs
InChI InChI=1S/C17H17N3OS/c1-12-8-9-15(10-13(12)2)21-11-16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKey XKOMOXOMLWWMDO-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I21mkoRN7OU
Name 4H-1,2,4-triazole-3-thiol, 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.109233352 u
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-12-8-9-15(10-13(12)2)21-11-16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKey XKOMOXOMLWWMDO-UHFFFAOYSA-N
Molecular Weight 311.403 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14079
Solvent DMSO-d6
Source Vendor ID: NMR/10300280; Lab Info: LP; Lab Number: LP-217984