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N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-1-adamantanecarboxamide
SpectraBase Compound ID 3AVErP1ogpA
InChI InChI=1S/C21H23ClFN3O/c22-17-2-1-3-18(23)16(17)12-26-5-4-19(25-26)24-20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25,27)/t13-,14+,15-,21-
InChIKey KYKHWKIGRITVOM-FZUGUKJMSA-N
Mol Weight 387.89 g/mol
Molecular Formula C21H23ClFN3O
Exact Mass 387.151368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8aCvzJu13E3
Name N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-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/C21H23ClFN3O/c22-17-2-1-3-18(23)16(17)12-26-5-4-19(25-26)24-20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25,27)/t13-,14+,15-,21-
InChIKey KYKHWKIGRITVOM-FZUGUKJMSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2410
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: 9160690; UBI_ID: UBI-002411
Temperature 315 °C