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1-(1-adamantyl)-N-(2-bromo-4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide

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1-(1-adamantyl)-N-(2-bromo-4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID ALcFG1i141F
InChI InChI=1S/C21H23BrN4O3/c1-12-2-3-17(16(22)4-12)23-20(27)19-18(26(28)29)11-25(24-19)21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,11,13-15H,5-10H2,1H3,(H,23,27)
InChIKey PZEIGBNFDHCCQX-UHFFFAOYSA-N
Mol Weight 459.34 g/mol
Molecular Formula C21H23BrN4O3
Exact Mass 458.095354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CnibNI2HUS4
Name 1-(1-adamantyl)-N-(2-bromo-4-methylphenyl)-4-nitro-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/C21H23BrN4O3/c1-12-2-3-17(16(22)4-12)23-20(27)19-18(26(28)29)11-25(24-19)21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,11,13-15H,5-10H2,1H3,(H,23,27)
InChIKey PZEIGBNFDHCCQX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3196
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/9149641; Labnumber: BAC_UAMK/004402; UZI_ID: UZI-003198
Temperature 308 °C