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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID 7Z8d09wMYxu
InChI InChI=1S/C25H23ClN4O4S/c1-32-19-13-9-18(10-14-19)30-23(15-34-20-11-7-17(26)8-12-20)28-29-25(30)35-16-24(31)27-21-5-3-4-6-22(21)33-2/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey BPVPQSCHXXTHBW-UHFFFAOYSA-N
Mol Weight 511.0 g/mol
Molecular Formula C25H23ClN4O4S
Exact Mass 510.112854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMkBPVlNUJt
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)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/C25H23ClN4O4S/c1-32-19-13-9-18(10-14-19)30-23(15-34-20-11-7-17(26)8-12-20)28-29-25(30)35-16-24(31)27-21-5-3-4-6-22(21)33-2/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey BPVPQSCHXXTHBW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11358
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: E06670; Labnumber: GRES-27252; SBI_ID: SBI-011361
Temperature 318 °C