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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
SpectraBase Compound ID DL60OQOWnby
InChI InChI=1S/C24H20Cl2N4O3S/c1-32-20-11-7-19(8-12-20)30-22(14-33-21-9-5-16(25)6-10-21)28-29-24(30)34-15-23(31)27-18-4-2-3-17(26)13-18/h2-13H,14-15H2,1H3,(H,27,31)
InChIKey WMJSUFZFRFWWRQ-UHFFFAOYSA-N
Mol Weight 515.42 g/mol
Molecular Formula C24H20Cl2N4O3S
Exact Mass 514.063317 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AUA89WmmWIS
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)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/C24H20Cl2N4O3S/c1-32-20-11-7-19(8-12-20)30-22(14-33-21-9-5-16(25)6-10-21)28-29-24(30)34-15-23(31)27-18-4-2-3-17(26)13-18/h2-13H,14-15H2,1H3,(H,27,31)
InChIKey WMJSUFZFRFWWRQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11434
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: E06327; Labnumber: GRES-20671; SBI_ID: SBI-011437
Temperature 308 °C