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4-(2-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-(2-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID G4nIrg7qWK8
InChI InChI=1S/C17H16ClN3O3S/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-19-20-17(25)21(16)12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,20,25)
InChIKey TUXOZLJEVBAXLK-UHFFFAOYSA-N
Mol Weight 377.85 g/mol
Molecular Formula C17H16ClN3O3S
Exact Mass 377.06009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FMQtuOxD0Vl
Name 4-(2-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H16ClN3O3S/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-19-20-17(25)21(16)12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,20,25)
InChIKey TUXOZLJEVBAXLK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2563
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D03675; Labnumber: NCOBK-0437; SBI_ID: SBI-002565
Synonyms 4-(2-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C