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

*Links on SpectraBase are not permalinks.
2-{[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
SpectraBase Compound ID JjTEV7Drgoq
InChI InChI=1S/C21H23N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,23,27)
InChIKey RKTDCMBZUFGZRW-UHFFFAOYSA-N
Mol Weight 393.51 g/mol
Molecular Formula C21H23N5OS
Exact Mass 393.162332 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 5Bm2vFVL0D5
Name 2-{[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
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/C21H23N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,23,27)
InChIKey RKTDCMBZUFGZRW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29091
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: D91248; Labnumber: VGU-0022737; SBI_ID: SBI-029095
Temperature 318 °C