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

*Links on SpectraBase are not permalinks.
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 9fwh395PY4i
InChI InChI=1S/C28H27F3N4O2S/c1-27(2,3)19-11-9-18(10-12-19)25-33-34-26(35(25)20-13-15-21(37-4)16-14-20)38-17-24(36)32-23-8-6-5-7-22(23)28(29,30)31/h5-16H,17H2,1-4H3,(H,32,36)
InChIKey SRFUJARJXQVQHG-UHFFFAOYSA-N
Mol Weight 540.61 g/mol
Molecular Formula C28H27F3N4O2S
Exact Mass 540.180682 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 GdbnA3do6uZ
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]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/C28H27F3N4O2S/c1-27(2,3)19-11-9-18(10-12-19)25-33-34-26(35(25)20-13-15-21(37-4)16-14-20)38-17-24(36)32-23-8-6-5-7-22(23)28(29,30)31/h5-16H,17H2,1-4H3,(H,32,36)
InChIKey SRFUJARJXQVQHG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17407
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: D25586; Labnumber: GRES-04670; SBI_ID: SBI-017410
Temperature 308 °C