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

View entire compound with spectra: 1 NMR

3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)-1-adamantanecarboxamide
SpectraBase Compound ID 5D1HJlwLmTr
InChI InChI=1S/C19H19BrClFN4O/c20-17-23-10-26(25-17)19-7-11-3-12(8-19)6-18(5-11,9-19)16(27)24-13-1-2-15(22)14(21)4-13/h1-2,4,10-12H,3,5-9H2,(H,24,27)/t11-,12+,18+,19-
InChIKey KRJWFBXHJCMJJE-WWEJGBHESA-N
Mol Weight 453.74 g/mol
Molecular Formula C19H19BrClFN4O
Exact Mass 452.04148 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A3pQajZiWSi
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-4-fluorophenyl)-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/C19H19BrClFN4O/c20-17-23-10-26(25-17)19-7-11-3-12(8-19)6-18(5-11,9-19)16(27)24-13-1-2-15(22)14(21)4-13/h1-2,4,10-12H,3,5-9H2,(H,24,27)/t11-,12+,18+,19-
InChIKey KRJWFBXHJCMJJE-WWEJGBHESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20312
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/9161835; UBI_ID: UBI-020316
Temperature 308 °C