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5-(4-Chloro-benzyl)-4-(2-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID HpHvbISTG8N
InChI InChI=1S/C16H14ClN3OS/c1-21-14-5-3-2-4-13(14)20-15(18-19-16(20)22)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,19,22)
InChIKey BLVYZOALRSIBNT-UHFFFAOYSA-N
Mol Weight 331.82 g/mol
Molecular Formula C16H14ClN3OS
Exact Mass 331.054611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2dyYL0ef5D8
Name 4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.054610956 u
Formula C16H14ClN3OS
InChI InChI=1S/C16H14ClN3OS/c1-21-14-5-3-2-4-13(14)20-15(18-19-16(20)22)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,19,22)
InChIKey BLVYZOALRSIBNT-UHFFFAOYSA-N
Molecular Weight 331.821 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15164
Solvent DMSO-d6
Source Vendor ID: NMR/10301677; Lab Info: OBK; Lab Number: OBK-0003658