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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID IjgzeVJkEri
InChI InChI=1S/C26H25ClN4O5S/c1-33-20-10-6-19(7-11-20)31-24(15-36-21-8-4-17(27)5-9-21)29-30-26(31)37-16-25(32)28-18-12-22(34-2)14-23(13-18)35-3/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey FZPMARLRTBUCPO-UHFFFAOYSA-N
Mol Weight 541.02 g/mol
Molecular Formula C26H25ClN4O5S
Exact Mass 540.123419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 12xhDjUhbnO
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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/C26H25ClN4O5S/c1-33-20-10-6-19(7-11-20)31-24(15-36-21-8-4-17(27)5-9-21)29-30-26(31)37-16-25(32)28-18-12-22(34-2)14-23(13-18)35-3/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey FZPMARLRTBUCPO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11506
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: E06420; Labnumber: GRES-22318; SBI_ID: SBI-011509
Temperature 308 °C