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

*Links on SpectraBase are not permalinks.
N-(1,3-benzodioxol-5-yl)-2-{[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID HCy03ZBKMmf
InChI InChI=1S/C22H18N4O4S/c27-20(23-16-8-9-18-19(11-16)30-14-29-18)13-31-22-25-24-21(15-5-2-1-3-6-15)26(22)12-17-7-4-10-28-17/h1-11H,12-14H2,(H,23,27)
InChIKey YPPPGXUNGUSXIJ-UHFFFAOYSA-N
Mol Weight 434.47 g/mol
Molecular Formula C22H18N4O4S
Exact Mass 434.104876 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 CKa5stUve8F
Name N-(1,3-benzodioxol-5-yl)-2-{[4-(2-furylmethyl)-5-phenyl-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/C22H18N4O4S/c27-20(23-16-8-9-18-19(11-16)30-14-29-18)13-31-22-25-24-21(15-5-2-1-3-6-15)26(22)12-17-7-4-10-28-17/h1-11H,12-14H2,(H,23,27)
InChIKey YPPPGXUNGUSXIJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14578
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: D98724; Labnumber: GRES-25513; SBI_ID: SBI-014581
Temperature 318 °C