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1-(1-adamantyl)-4-bromo-N-(3-chloro-4-methylphenyl)-1H-pyrazole-3-carboxamide

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1-(1-adamantyl)-4-bromo-N-(3-chloro-4-methylphenyl)-1H-pyrazole-3-carboxamide
SpectraBase Compound ID ID56QQ79cpo
InChI InChI=1S/C21H23BrClN3O/c1-12-2-3-16(7-18(12)23)24-20(27)19-17(22)11-26(25-19)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,11,13-15H,4-6,8-10H2,1H3,(H,24,27)/t13-,14+,15-,21-
InChIKey KFYFASYRAHCLMW-FZUGUKJMSA-N
Mol Weight 448.79 g/mol
Molecular Formula C21H23BrClN3O
Exact Mass 447.071303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C2zwAi8Wi1y
Name 1-(1-adamantyl)-4-bromo-N-(3-chloro-4-methylphenyl)-1H-pyrazole-3-carboxamide
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/C21H23BrClN3O/c1-12-2-3-16(7-18(12)23)24-20(27)19-17(22)11-26(25-19)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,11,13-15H,4-6,8-10H2,1H3,(H,24,27)/t13-,14+,15-,21-
InChIKey KFYFASYRAHCLMW-FZUGUKJMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18773
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/9146585; Labnumber: UGB-0020121; UZI_ID: UZI-018780
Temperature 308 °C