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2-({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
SpectraBase Compound ID CVP3Mq0qSFS
InChI InChI=1S/C17H16F3N7O3S/c1-3-26-15(12-8-13(17(18,19)20)24-25(12)2)22-23-16(26)31-9-14(28)21-10-4-6-11(7-5-10)27(29)30/h4-8H,3,9H2,1-2H3,(H,21,28)
InChIKey CBYAUDCIIWYTIO-UHFFFAOYSA-N
Mol Weight 455.42 g/mol
Molecular Formula C17H16F3N7O3S
Exact Mass 455.098743 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7bhBPYBhFM
Name 2-({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)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/C17H16F3N7O3S/c1-3-26-15(12-8-13(17(18,19)20)24-25(12)2)22-23-16(26)31-9-14(28)21-10-4-6-11(7-5-10)27(29)30/h4-8H,3,9H2,1-2H3,(H,21,28)
InChIKey CBYAUDCIIWYTIO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6831
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/1265816; Labnumber: COL3562; UZI_ID: UZI-006833
Temperature 318 °C