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N-(4-chloro-2-fluorophenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

View entire compound with spectra: 1 NMR

N-(4-chloro-2-fluorophenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 5Ijt1Bi6oNc
InChI InChI=1S/C19H19ClFN5O3/c20-13-1-2-15(14(21)4-13)23-16(27)18-5-11-3-12(6-18)8-19(7-11,9-18)25-10-22-17(24-25)26(28)29/h1-2,4,10-12H,3,5-9H2,(H,23,27)/t11-,12+,18+,19-
InChIKey CIHIEARCUKYCOE-WWEJGBHESA-N
Mol Weight 419.84 g/mol
Molecular Formula C19H19ClFN5O3
Exact Mass 419.116045 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Bc063sMEuH
Name N-(4-chloro-2-fluorophenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
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/C19H19ClFN5O3/c20-13-1-2-15(14(21)4-13)23-16(27)18-5-11-3-12(6-18)8-19(7-11,9-18)25-10-22-17(24-25)26(28)29/h1-2,4,10-12H,3,5-9H2,(H,23,27)/t11-,12+,18+,19-
InChIKey CIHIEARCUKYCOE-WWEJGBHESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3302
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/9127701; Labnumber: BAC_UAMK/006946; UZI_ID: UZI-003304
Temperature 313 °C