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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide
SpectraBase Compound ID 9Y9qqgprB0Q
InChI InChI=1S/C23H26N4O3S/c1-4-14-27-21(15-30-18-12-10-17(3)11-13-18)25-26-23(27)31-16-22(28)24-19-8-6-7-9-20(19)29-5-2/h4,6-13H,1,5,14-16H2,2-3H3,(H,24,28)
InChIKey WMAXLQLPJMOBMX-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C23H26N4O3S
Exact Mass 438.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GpKyTWHvfrd
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)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/C23H26N4O3S/c1-4-14-27-21(15-30-18-12-10-17(3)11-13-18)25-26-23(27)31-16-22(28)24-19-8-6-7-9-20(19)29-5-2/h4,6-13H,1,5,14-16H2,2-3H3,(H,24,28)
InChIKey WMAXLQLPJMOBMX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11288
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: E06588; Labnumber: GRES-25420; SBI_ID: SBI-011291
Temperature 308 °C