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4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5J4ygycztvO
InChI InChI=1S/C8H6Cl2N4S/c9-4-1-2-5(6(10)3-4)7-12-13-8(15)14(7)11/h1-3H,11H2,(H,13,15)
InChIKey MRAFZTIQQGCSTN-UHFFFAOYSA-N
Mol Weight 261.13 g/mol
Molecular Formula C8H6Cl2N4S
Exact Mass 259.969023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5hPa2VYXsfj
Name 4H-1,2,4-triazole-3-thiol, 4-amino-5-(2,4-dichlorophenyl)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.969022783 u
Formula C8H6Cl2N4S
InChI InChI=1S/C8H6Cl2N4S/c9-4-1-2-5(6(10)3-4)7-12-13-8(15)14(7)11/h1-3H,11H2,(H,13,15)
InChIKey MRAFZTIQQGCSTN-UHFFFAOYSA-N
Molecular Weight 261.130 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7631
Solvent DMSO-d6
Source Vendor ID: NMR/9273643; Lab Info: LP; Lab Number: LP-2191066