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N-(4-chlorobenzyl)-2-({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID LIMj634KJbZ
InChI InChI=1S/C18H18ClF3N6OS/c1-3-28-16(13-8-14(18(20,21)22)26-27(13)2)24-25-17(28)30-10-15(29)23-9-11-4-6-12(19)7-5-11/h4-8H,3,9-10H2,1-2H3,(H,23,29)
InChIKey YOGMFQZSALOUAC-UHFFFAOYSA-N
Mol Weight 458.89 g/mol
Molecular Formula C18H18ClF3N6OS
Exact Mass 458.090343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6GnXRFmFXCa
Name N-(4-chlorobenzyl)-2-({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-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/C18H18ClF3N6OS/c1-3-28-16(13-8-14(18(20,21)22)26-27(13)2)24-25-17(28)30-10-15(29)23-9-11-4-6-12(19)7-5-11/h4-8H,3,9-10H2,1-2H3,(H,23,29)
InChIKey YOGMFQZSALOUAC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6819
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/1266549; Labnumber: COL3546; UZI_ID: UZI-006821
Temperature 318 °C