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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
SpectraBase Compound ID 2ybYHkZUxXK
InChI InChI=1S/C25H22ClFN4O3S/c1-16-3-6-18(13-22(16)27)28-24(32)15-35-25-30-29-23(14-34-21-9-4-17(26)5-10-21)31(25)19-7-11-20(33-2)12-8-19/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKey SDGAMVFGHDZFRD-UHFFFAOYSA-N
Mol Weight 512.99 g/mol
Molecular Formula C25H22ClFN4O3S
Exact Mass 512.108518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L7GGCeXo7Sj
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-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/C25H22ClFN4O3S/c1-16-3-6-18(13-22(16)27)28-24(32)15-35-25-30-29-23(14-34-21-9-4-17(26)5-10-21)31(25)19-7-11-20(33-2)12-8-19/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKey SDGAMVFGHDZFRD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11366
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: E06682; Labnumber: GRES-27441; SBI_ID: SBI-011369
Temperature 318 °C