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5-(benzylamino)-4-(4-chlorobenzoyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

5-(benzylamino)-4-(4-chlorobenzoyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7QKUPVNob1n
InChI InChI=1S/C16H13ClN4OS/c17-13-8-6-12(7-9-13)14(22)21-15(19-20-16(21)23)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H,20,23)
InChIKey OHQOPWVMOVQLSE-UHFFFAOYSA-N
Mol Weight 344.82 g/mol
Molecular Formula C16H13ClN4OS
Exact Mass 344.04986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ew4VXs2LLn3
Name 5-(benzylamino)-4-(4-chlorobenzoyl)-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/C16H13ClN4OS/c17-13-8-6-12(7-9-13)14(22)21-15(19-20-16(21)23)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H,20,23)
InChIKey OHQOPWVMOVQLSE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5179
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: E13489; Labnumber: RRYB-4666; SBI_ID: SBI-005181
Synonyms 5-(benzylamino)-4-(4-chlorobenzoyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C