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

*Links on SpectraBase are not permalinks.
2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID JUMCiTzhD8O
InChI InChI=1S/C25H23ClN4O3S/c1-16-4-13-22(33-3)21(14-16)27-23(31)15-34-25-29-28-24(17-5-7-18(26)8-6-17)30(25)19-9-11-20(32-2)12-10-19/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey QIDFGQHKIRKXCB-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C25H23ClN4O3S
Exact Mass 494.117939 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 38ADtW6gBmh
Name 2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-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/C25H23ClN4O3S/c1-16-4-13-22(33-3)21(14-16)27-23(31)15-34-25-29-28-24(17-5-7-18(26)8-6-17)30(25)19-9-11-20(32-2)12-10-19/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey QIDFGQHKIRKXCB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4499
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: D99049; Labnumber: GRES-30663; SBI_ID: SBI-004501
Temperature 315 °C