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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID 2CHyu1nfUbh
InChI InChI=1S/C24H20ClFN4O3S/c1-32-20-12-8-19(9-13-20)30-22(14-33-21-10-2-16(25)3-11-21)28-29-24(30)34-15-23(31)27-18-6-4-17(26)5-7-18/h2-13H,14-15H2,1H3,(H,27,31)
InChIKey GQGGBFVVNAXNSN-UHFFFAOYSA-N
Mol Weight 498.96 g/mol
Molecular Formula C24H20ClFN4O3S
Exact Mass 498.092868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BpC4KCtBW6K
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)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/C24H20ClFN4O3S/c1-32-20-12-8-19(9-13-20)30-22(14-33-21-10-2-16(25)3-11-21)28-29-24(30)34-15-23(31)27-18-6-4-17(26)5-7-18/h2-13H,14-15H2,1H3,(H,27,31)
InChIKey GQGGBFVVNAXNSN-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11221
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: E06503; Labnumber: GRES-23662; SBI_ID: SBI-011224
Temperature 315 °C