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

*Links on SpectraBase are not permalinks.
N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5EkQ0ggcotR
InChI InChI=1S/C25H21BrF2N4O3S/c1-3-35-19-10-6-17(7-11-19)32-24(15-4-8-18(34-2)9-5-15)30-31-25(32)36-14-22(33)29-23-20(26)12-16(27)13-21(23)28/h4-13H,3,14H2,1-2H3,(H,29,33)
InChIKey XXGRNPJEAQEIHN-UHFFFAOYSA-N
Mol Weight 575.43 g/mol
Molecular Formula C25H21BrF2N4O3S
Exact Mass 574.048581 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 JVWcIjOpA7C
Name N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/C25H21BrF2N4O3S/c1-3-35-19-10-6-17(7-11-19)32-24(15-4-8-18(34-2)9-5-15)30-31-25(32)36-14-22(33)29-23-20(26)12-16(27)13-21(23)28/h4-13H,3,14H2,1-2H3,(H,29,33)
InChIKey XXGRNPJEAQEIHN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4395
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: D98940; Labnumber: GRES-28808; SBI_ID: SBI-004397
Temperature 306 °C