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1-(1-adamantyl)-4-bromo-N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SpectraBase Compound ID Pwj0s8024B
InChI InChI=1S/C26H29BrClN5O/c1-15-23(16(2)32(30-15)13-20-5-3-4-6-22(20)28)29-25(34)24-21(27)14-33(31-24)26-10-17-7-18(11-26)9-19(8-17)12-26/h3-6,14,17-19H,7-13H2,1-2H3,(H,29,34)/t17-,18+,19-,26-
InChIKey JKAUBPSNKFBENG-MCTDJQMZSA-N
Mol Weight 542.91 g/mol
Molecular Formula C26H29BrClN5O
Exact Mass 541.124401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6KyR7y8SHVT
Name 1-(1-adamantyl)-4-bromo-N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-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/C26H29BrClN5O/c1-15-23(16(2)32(30-15)13-20-5-3-4-6-22(20)28)29-25(34)24-21(27)14-33(31-24)26-10-17-7-18(11-26)9-19(8-17)12-26/h3-6,14,17-19H,7-13H2,1-2H3,(H,29,34)/t17-,18+,19-,26-
InChIKey JKAUBPSNKFBENG-MCTDJQMZSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10946
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/9078354; UBI_ID: UBI-010949
Temperature 313 °C