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

*Links on SpectraBase are not permalinks.
N-(3-bromophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JApl9sQfeiP
InChI InChI=1S/C27H27BrN4O2S/c1-27(2,3)19-10-8-18(9-11-19)25-30-31-26(32(25)22-12-14-23(34-4)15-13-22)35-17-24(33)29-21-7-5-6-20(28)16-21/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey WKNOSKPYSUMEEB-UHFFFAOYSA-N
Mol Weight 551.5 g/mol
Molecular Formula C27H27BrN4O2S
Exact Mass 550.10381 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 KQcZfThrSFe
Name N-(3-bromophenyl)-2-{[5-(4-tert-butylphenyl)-4-(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/C27H27BrN4O2S/c1-27(2,3)19-10-8-18(9-11-19)25-30-31-26(32(25)22-12-14-23(34-4)15-13-22)35-17-24(33)29-21-7-5-6-20(28)16-21/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey WKNOSKPYSUMEEB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17412
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: D25593; Labnumber: GRES-04677; SBI_ID: SBI-017415
Temperature 308 °C