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4H-1,2,4-triazole-3-thiol, 4-(4-amino-3,5-dichlorophenyl)-5-phenyl-
SpectraBase Compound ID 2qzcal63ZiH
InChI InChI=1S/C14H10Cl2N4S/c15-10-6-9(7-11(16)12(10)17)20-13(18-19-14(20)21)8-4-2-1-3-5-8/h1-7H,17H2,(H,19,21)
InChIKey NDEITAGKZABOMK-UHFFFAOYSA-N
Mol Weight 337.23 g/mol
Molecular Formula C14H10Cl2N4S
Exact Mass 336.000323 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KUFhUui9AnK
Name 4H-1,2,4-triazole-3-thiol, 4-(4-amino-3,5-dichlorophenyl)-5-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 336.000322912 u
Formula C14H10Cl2N4S
InChI InChI=1S/C14H10Cl2N4S/c15-10-6-9(7-11(16)12(10)17)20-13(18-19-14(20)21)8-4-2-1-3-5-8/h1-7H,17H2,(H,19,21)
InChIKey NDEITAGKZABOMK-UHFFFAOYSA-N
Molecular Weight 337.228 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10285
Solvent DMSO-d6
Source Vendor ID: NMR/10241712; Lab Info: RGG; Lab Number: RGG-0400036