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1-(1-adamantyl)-4-nitro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 9nSHfC1lhZp
InChI InChI=1S/C21H28N6O3/c1-12-17(13(2)25(3)23-12)10-22-20(28)19-18(27(29)30)11-26(24-19)21-7-14-4-15(8-21)6-16(5-14)9-21/h11,14-16H,4-10H2,1-3H3,(H,22,28)/t14-,15+,16-,21-
InChIKey XVXGBDHZMXZRKC-OFIQSVQDSA-N
Mol Weight 412.49 g/mol
Molecular Formula C21H28N6O3
Exact Mass 412.222289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 45HK4xZVvVz
Name 1-(1-adamantyl)-4-nitro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-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/C21H28N6O3/c1-12-17(13(2)25(3)23-12)10-22-20(28)19-18(27(29)30)11-26(24-19)21-7-14-4-15(8-21)6-16(5-14)9-21/h11,14-16H,4-10H2,1-3H3,(H,22,28)/t14-,15+,16-,21-
InChIKey XVXGBDHZMXZRKC-OFIQSVQDSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3780
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: 9319451; UBI_ID: UBI-003781
Temperature 313 °C