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N-(4-chlorobenzyl)-2-[(4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID KKL2xNLcIVP
InChI InChI=1S/C23H23ClF4N4O2S/c1-2-32-20(17-5-3-4-16(10-17)12-34-14-23(27,28)21(25)26)30-31-22(32)35-13-19(33)29-11-15-6-8-18(24)9-7-15/h3-10,21H,2,11-14H2,1H3,(H,29,33)
InChIKey YPYGCRREALCOGG-UHFFFAOYSA-N
Mol Weight 530.97 g/mol
Molecular Formula C23H23ClF4N4O2S
Exact Mass 530.116638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EN2zNEuJT0r
Name N-(4-chlorobenzyl)-2-[(4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-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/C23H23ClF4N4O2S/c1-2-32-20(17-5-3-4-16(10-17)12-34-14-23(27,28)21(25)26)30-31-22(32)35-13-19(33)29-11-15-6-8-18(24)9-7-15/h3-10,21H,2,11-14H2,1H3,(H,29,33)
InChIKey YPYGCRREALCOGG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6660
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/1267284; Labnumber: COL3151; UZI_ID: UZI-006662
Temperature 318 °C