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2-({4-ethyl-5-[(2-fluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 7qz360choQy
InChI InChI=1S/C20H21FN4O3S/c1-3-25-18(12-28-17-7-5-4-6-16(17)21)23-24-20(25)29-13-19(26)22-14-8-10-15(27-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey YXNODRBEQOSDBU-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C20H21FN4O3S
Exact Mass 416.13184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1IqcmASvWtW
Name 2-({4-ethyl-5-[(2-fluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-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/C20H21FN4O3S/c1-3-25-18(12-28-17-7-5-4-6-16(17)21)23-24-20(25)29-13-19(26)22-14-8-10-15(27-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey YXNODRBEQOSDBU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7711
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: UZI/1269664; Labnumber: COL5911; UZI_ID: UZI-007713
Temperature 318 °C