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N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID A8RySNlkG4v
InChI InChI=1S/C20H19F4N5O3/c21-14-2-1-13(20(22,23)24)4-15(14)26-16(30)18-5-11-3-12(6-18)8-19(7-11,9-18)28-10-25-17(27-28)29(31)32/h1-2,4,10-12H,3,5-9H2,(H,26,30)/t11-,12+,18+,19-
InChIKey WROUQNOZGQTYOX-WWEJGBHESA-N
Mol Weight 453.4 g/mol
Molecular Formula C20H19F4N5O3
Exact Mass 453.142402 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3nJpEnhmz8e
Name N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H19F4N5O3/c21-14-2-1-13(20(22,23)24)4-15(14)26-16(30)18-5-11-3-12(6-18)8-19(7-11,9-18)28-10-25-17(27-28)29(31)32/h1-2,4,10-12H,3,5-9H2,(H,26,30)/t11-,12+,18+,19-
InChIKey WROUQNOZGQTYOX-WWEJGBHESA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3034
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/9157650; Labnumber: BAC_UAMK/001654; UZI_ID: UZI-003036
Temperature 306 °C