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1-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 4NpT3BAJyBH
InChI InChI=1S/C20H26N6O3/c1-12-16(10-24(2)22-12)9-21-19(27)18-17(26(28)29)11-25(23-18)20-6-13-3-14(7-20)5-15(4-13)8-20/h10-11,13-15H,3-9H2,1-2H3,(H,21,27)/t13-,14+,15-,20-
InChIKey LFUXQCXDXRKMTD-PVGDPBLGSA-N
Mol Weight 398.47 g/mol
Molecular Formula C20H26N6O3
Exact Mass 398.206639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IADRkeYiqzZ
Name 1-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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/C20H26N6O3/c1-12-16(10-24(2)22-12)9-21-19(27)18-17(26(28)29)11-25(23-18)20-6-13-3-14(7-20)5-15(4-13)8-20/h10-11,13-15H,3-9H2,1-2H3,(H,21,27)/t13-,14+,15-,20-
InChIKey LFUXQCXDXRKMTD-PVGDPBLGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3781
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: 9268166; UBI_ID: UBI-003782
Temperature 318 °C