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4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9rehrqh1YgU
InChI InChI=1S/C14H12N4S/c19-14-17-16-13(12-6-8-15-9-7-12)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKey CPPAKJNMGGTEHY-UHFFFAOYSA-N
Mol Weight 268.34 g/mol
Molecular Formula C14H12N4S
Exact Mass 268.078268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AsNCF2hBupR
Name 4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.078267576 u
Formula C14H12N4S
InChI InChI=1S/C14H12N4S/c19-14-17-16-13(12-6-8-15-9-7-12)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKey CPPAKJNMGGTEHY-UHFFFAOYSA-N
Molecular Weight 268.338 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4932
Solvent DMSO-d6
Source Vendor ID: NMR/12267237; Lab Info: OBK; Lab Number: OBK-5316