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

*Links on SpectraBase are not permalinks.

2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID JG3Cq4ZI1lI
InChI InChI=1S/C20H19FN4O2S/c1-3-12-25-19(14-8-10-15(27-2)11-9-14)23-24-20(25)28-13-18(26)22-17-7-5-4-6-16(17)21/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey YKECTBYPORSDJE-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C20H19FN4O2S
Exact Mass 398.121275 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 31djQA685sf
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)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/C20H19FN4O2S/c1-3-12-25-19(14-8-10-15(27-2)11-9-14)23-24-20(25)28-13-18(26)22-17-7-5-4-6-16(17)21/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey YKECTBYPORSDJE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14596
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: D98749; Labnumber: GRES-25834; SBI_ID: SBI-014599
Temperature 318 °C