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-(4-chloro-2-methylphenyl)acetamide

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID 5rVAkqXzNKp
InChI InChI=1S/C21H21ClN4O2S/c1-4-11-26-20(15-5-8-17(28-3)9-6-15)24-25-21(26)29-13-19(27)23-18-10-7-16(22)12-14(18)2/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey NLGPZSWLGGVFHW-UHFFFAOYSA-N
Mol Weight 428.94 g/mol
Molecular Formula C21H21ClN4O2S
Exact Mass 428.107375 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 5mtPDwiQ5q1
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)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/C21H21ClN4O2S/c1-4-11-26-20(15-5-8-17(28-3)9-6-15)24-25-21(26)29-13-19(27)23-18-10-7-16(22)12-14(18)2/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey NLGPZSWLGGVFHW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4509
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: D99064; Labnumber: GRES-30874; SBI_ID: SBI-004511
Temperature 315 °C