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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID B4MRWhoH55g
InChI InChI=1S/C20H18ClF3N4OS/c1-3-28-18(13-6-4-5-12(2)9-13)26-27-19(28)30-11-17(29)25-16-10-14(20(22,23)24)7-8-15(16)21/h4-10H,3,11H2,1-2H3,(H,25,29)
InChIKey TYVYHWDNNTWTLZ-UHFFFAOYSA-N
Mol Weight 454.9 g/mol
Molecular Formula C20H18ClF3N4OS
Exact Mass 454.084195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9GnqW6oJGn1
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-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/C20H18ClF3N4OS/c1-3-28-18(13-6-4-5-12(2)9-13)26-27-19(28)30-11-17(29)25-16-10-14(20(22,23)24)7-8-15(16)21/h4-10H,3,11H2,1-2H3,(H,25,29)
InChIKey TYVYHWDNNTWTLZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11206
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: E06277; Labnumber: GRES-19607; SBI_ID: SBI-011209
Temperature 318 °C