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2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
SpectraBase Compound ID IpiUzkF7z7c
InChI InChI=1S/C17H16F3N7O3S/c1-3-26-15(12-8-13(17(18,19)20)25(2)24-12)22-23-16(26)31-9-14(28)21-10-5-4-6-11(7-10)27(29)30/h4-8H,3,9H2,1-2H3,(H,21,28)
InChIKey BABXAZKWGLEFCO-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 38cKPSFxKaO
Name 2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-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)25(2)24-12)22-23-16(26)31-9-14(28)21-10-5-4-6-11(7-10)27(29)30/h4-8H,3,9H2,1-2H3,(H,21,28)
InChIKey BABXAZKWGLEFCO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6783
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/1266719; Labnumber: COL3418; UZI_ID: UZI-006785
Temperature 318 °C