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2-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]acetamide

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2-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]acetamide
SpectraBase Compound ID AZQFfFUrygx
InChI InChI=1S/C22H25ClFN3O/c23-18-2-1-3-19(24)17(18)13-27-5-4-20(26-27)25-21(28)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,14-16H,6-13H2,(H,25,26,28)/t14-,15+,16-,22-
InChIKey DWOFRXPBYNYNLO-OFWUGVANSA-N
Mol Weight 401.91 g/mol
Molecular Formula C22H25ClFN3O
Exact Mass 401.167018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0miSwSIgtH
Name 2-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]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/C22H25ClFN3O/c23-18-2-1-3-19(24)17(18)13-27-5-4-20(26-27)25-21(28)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,14-16H,6-13H2,(H,25,26,28)/t14-,15+,16-,22-
InChIKey DWOFRXPBYNYNLO-OFWUGVANSA-N
NMR Offset 18.9247
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2321
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: 9216061; UBI_ID: UBI-002322
Temperature 313 °C