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2-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide

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2-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide
SpectraBase Compound ID 8zllahqVcf0
InChI InChI=1S/C24H29ClFN3O/c1-14-23(15(2)29(28-14)13-19-20(25)4-3-5-21(19)26)27-22(30)12-24-9-16-6-17(10-24)8-18(7-16)11-24/h3-5,16-18H,6-13H2,1-2H3,(H,27,30)/t16-,17+,18-,24-
InChIKey NEBZTTVWOONAAQ-OXLXHMEASA-N
Mol Weight 429.97 g/mol
Molecular Formula C24H29ClFN3O
Exact Mass 429.198318 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7HmVrZOQfVO
Name 2-(1-adamantyl)-N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-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/C24H29ClFN3O/c1-14-23(15(2)29(28-14)13-19-20(25)4-3-5-21(19)26)27-22(30)12-24-9-16-6-17(10-24)8-18(7-16)11-24/h3-5,16-18H,6-13H2,1-2H3,(H,27,30)/t16-,17+,18-,24-
InChIKey NEBZTTVWOONAAQ-OXLXHMEASA-N
NMR Offset 18.9247
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2168
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: 9226449; UBI_ID: UBI-002169
Temperature 313 °C