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5-(3-Ethyl-5-methyl-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID AQvV8K8rpLz
InChI InChI=1S/C18H19N3OS/c1-3-14-9-13(2)10-16(11-14)22-12-17-19-20-18(23)21(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKey BKKWJVRBKCXDMO-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C18H19N3OS
Exact Mass 325.124883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ByzyNzVropL
Name 4H-1,2,4-triazole-3-thiol, 5-[(3-ethyl-5-methylphenoxy)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 325.124883417 u
Formula C18H19N3OS
InChI InChI=1S/C18H19N3OS/c1-3-14-9-13(2)10-16(11-14)22-12-17-19-20-18(23)21(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKey BKKWJVRBKCXDMO-UHFFFAOYSA-N
Molecular Weight 325.430 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5840
Solvent DMSO-d6
Source Vendor ID: NMR/9215871; Lab Info: LP; Lab Number: LP-2190245