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N-(4-chlorobenzyl)-2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 2UkVRMZkYdu
InChI InChI=1S/C20H19ClF2N4O2S/c1-2-27-18(14-5-9-16(10-6-14)29-19(22)23)25-26-20(27)30-12-17(28)24-11-13-3-7-15(21)8-4-13/h3-10,19H,2,11-12H2,1H3,(H,24,28)
InChIKey BAXCCJXYDGWFHH-UHFFFAOYSA-N
Mol Weight 452.91 g/mol
Molecular Formula C20H19ClF2N4O2S
Exact Mass 452.088531 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A2gb1wikuu6
Name N-(4-chlorobenzyl)-2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)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/C20H19ClF2N4O2S/c1-2-27-18(14-5-9-16(10-6-14)29-19(22)23)25-26-20(27)30-12-17(28)24-11-13-3-7-15(21)8-4-13/h3-10,19H,2,11-12H2,1H3,(H,24,28)
InChIKey BAXCCJXYDGWFHH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6838
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/1266211; Labnumber: COL3570; UZI_ID: UZI-006840
Temperature 318 °C