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4-{[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
SpectraBase Compound ID 4ujuUo3ESFf
InChI InChI=1S/C21H23N5O3S/c1-3-26-18(12-29-17-10-4-14(2)5-11-17)24-25-21(26)30-13-19(27)23-16-8-6-15(7-9-16)20(22)28/h4-11H,3,12-13H2,1-2H3,(H2,22,28)(H,23,27)
InChIKey YZGHFSAQTVGVAC-UHFFFAOYSA-N
Mol Weight 425.51 g/mol
Molecular Formula C21H23N5O3S
Exact Mass 425.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F1YlIQ4fy1
Name 4-{[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
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/C21H23N5O3S/c1-3-26-18(12-29-17-10-4-14(2)5-11-17)24-25-21(26)30-13-19(27)23-16-8-6-15(7-9-16)20(22)28/h4-11H,3,12-13H2,1-2H3,(H2,22,28)(H,23,27)
InChIKey YZGHFSAQTVGVAC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11174
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: E06189; Labnumber: GRES-17864; SBI_ID: SBI-011177
Temperature 306 °C