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N-{3-[(1-adamantylcarbonyl)amino]phenyl}-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
SpectraBase Compound ID IbXGNE8BVeo
InChI InChI=1S/C22H25N5O4/c1-26-19(18(12-23-26)27(30)31)20(28)24-16-3-2-4-17(8-16)25-21(29)22-9-13-5-14(10-22)7-15(6-13)11-22/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,24,28)(H,25,29)
InChIKey PDQGNVDBOJFNAD-UHFFFAOYSA-N
Mol Weight 423.47 g/mol
Molecular Formula C22H25N5O4
Exact Mass 423.190654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 96BQ69IOk3Q
Name N-{3-[(1-adamantylcarbonyl)amino]phenyl}-1-methyl-4-nitro-1H-pyrazole-5-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/C22H25N5O4/c1-26-19(18(12-23-26)27(30)31)20(28)24-16-3-2-4-17(8-16)25-21(29)22-9-13-5-14(10-22)7-15(6-13)11-22/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,24,28)(H,25,29)
InChIKey PDQGNVDBOJFNAD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14729
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/1020066; UBI_ID: UBI-014732
Temperature 308 °C