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3-[(4-methoxyphenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID CRz3BR41KRa
InChI InChI=1S/C16H15N3OS2/c1-20-13-7-9-14(10-8-13)22-11-15-17-18-16(21)19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,21)
InChIKey MSFBIHGWKFFJPD-UHFFFAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C16H15N3OS2
Exact Mass 329.065654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5tzsvAOWc4v
Name 4H-1,2,4-triazole-3-thiol, 5-[[(4-methoxyphenyl)thio]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 329.065654462 u
Formula C16H15N3OS2
InChI InChI=1S/C16H15N3OS2/c1-20-13-7-9-14(10-8-13)22-11-15-17-18-16(21)19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,21)
InChIKey MSFBIHGWKFFJPD-UHFFFAOYSA-N
Molecular Weight 329.436 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5826
Solvent DMSO-d6
Source Vendor ID: NMR/9213456; Lab Info: LP; Lab Number: LP-2190281