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

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-
SpectraBase Compound ID 3DMxBV4rqM0
InChI InChI=1S/C16H12FN3O2S/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 SHSMGRCNJXDGPC-UHFFFAOYSA-N
Mol Weight 329.35 g/mol
Molecular Formula C16H12FN3O2S
Exact Mass 329.063426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7QUu4Ex3kmL
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-
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/C16H12FN3O2S/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 SHSMGRCNJXDGPC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6025
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: F26751; Labnumber: NNOBK-9338