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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID FqtBxLQHqUS
InChI InChI=1S/C19H16ClF3N4O2S/c1-27-17(11-3-6-13(29-2)7-4-11)25-26-18(27)30-10-16(28)24-15-9-12(19(21,22)23)5-8-14(15)20/h3-9H,10H2,1-2H3,(H,24,28)
InChIKey HLHKUTNTKBGBKU-UHFFFAOYSA-N
Mol Weight 456.87 g/mol
Molecular Formula C19H16ClF3N4O2S
Exact Mass 456.063459 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HyVVqMrZQlP
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(4-methoxyphenyl)-4-methyl-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/C19H16ClF3N4O2S/c1-27-17(11-3-6-13(29-2)7-4-11)25-26-18(27)30-10-16(28)24-15-9-12(19(21,22)23)5-8-14(15)20/h3-9H,10H2,1-2H3,(H,24,28)
InChIKey HLHKUTNTKBGBKU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7294
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: D29037; Labnumber: SPABU-2793; SBI_ID: SBI-007297
Temperature 306 °C