For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-
SpectraBase Compound ID 2x9ZeldAIOk
InChI InChI=1S/C16H12ClN3O2S/c17-12-4-2-11(3-5-12)15-18-19-16(23)20(15)8-10-1-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,19,23)
InChIKey OCKMBWGGLRBNPC-UHFFFAOYSA-N
Mol Weight 345.8 g/mol
Molecular Formula C16H12ClN3O2S
Exact Mass 345.033876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CAf1npn6TpZ
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-
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/C16H12ClN3O2S/c17-12-4-2-11(3-5-12)15-18-19-16(23)20(15)8-10-1-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,19,23)
InChIKey OCKMBWGGLRBNPC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11575
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: F31585; Labnumber: SPYEL-7363