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2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide

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2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID BuFS9elvBX3
InChI InChI=1S/C31H28N4O4S/c1-22-8-14-26(15-9-22)38-20-29-33-34-31(35(29)24-12-18-25(37-2)19-13-24)40-21-30(36)32-23-10-16-28(17-11-23)39-27-6-4-3-5-7-27/h3-19H,20-21H2,1-2H3,(H,32,36)
InChIKey ZKERUYWWLLVTPN-UHFFFAOYSA-N
Mol Weight 552.65 g/mol
Molecular Formula C31H28N4O4S
Exact Mass 552.183127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8U1Ck8RyEkj
Name 2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)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/C31H28N4O4S/c1-22-8-14-26(15-9-22)38-20-29-33-34-31(35(29)24-12-18-25(37-2)19-13-24)40-21-30(36)32-23-10-16-28(17-11-23)39-27-6-4-3-5-7-27/h3-19H,20-21H2,1-2H3,(H,32,36)
InChIKey ZKERUYWWLLVTPN-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11233
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: E06517; Labnumber: GRES-23867; SBI_ID: SBI-011236
Temperature 315 °C