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

*Links on SpectraBase are not permalinks.
3-[(4-chlorophenoxy)methyl]-5-[(2-fluorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID 7M4pfRou0Uz
InChI InChI=1S/C23H19ClFN3O2S/c1-29-19-12-8-18(9-13-19)28-22(14-30-20-10-6-17(24)7-11-20)26-27-23(28)31-15-16-4-2-3-5-21(16)25/h2-13H,14-15H2,1H3
InChIKey GFGXSZLNGMHXAV-UHFFFAOYSA-N
Mol Weight 455.94 g/mol
Molecular Formula C23H19ClFN3O2S
Exact Mass 455.087054 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 SZBowqMjm7
Name 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
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/C23H19ClFN3O2S/c1-29-19-12-8-18(9-13-19)28-22(14-30-20-10-6-17(24)7-11-20)26-27-23(28)31-15-16-4-2-3-5-21(16)25/h2-13H,14-15H2,1H3
InChIKey GFGXSZLNGMHXAV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11726
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: E08662; Labnumber: GRES-37324; SBI_ID: SBI-011729
Temperature 308 °C