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

*Links on SpectraBase are not permalinks.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 79ZZaiuM7BA
InChI InChI=1S/C21H23ClN4O3S/c1-5-26-20(14-6-8-15(28-3)9-7-14)24-25-21(26)30-12-19(27)23-17-10-13(2)16(22)11-18(17)29-4/h6-11H,5,12H2,1-4H3,(H,23,27)
InChIKey KZQQYLZFZFXQDN-UHFFFAOYSA-N
Mol Weight 446.95 g/mol
Molecular Formula C21H23ClN4O3S
Exact Mass 446.117939 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 LGPkF8OBFt8
Name N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-ethyl-5-(4-methoxyphenyl)-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/C21H23ClN4O3S/c1-5-26-20(14-6-8-15(28-3)9-7-14)24-25-21(26)30-12-19(27)23-17-10-13(2)16(22)11-18(17)29-4/h6-11H,5,12H2,1-4H3,(H,23,27)
InChIKey KZQQYLZFZFXQDN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4026
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: D98426; Labnumber: GRES-20820; SBI_ID: SBI-004028
Temperature 308 °C