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1-(1-adamantyl)-N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID rjjw4hKvIR
InChI InChI=1S/C24H24Cl2N6O3/c25-19-2-1-3-20(26)18(19)12-30-11-17(10-27-30)28-23(33)22-21(32(34)35)13-31(29-22)24-7-14-4-15(8-24)6-16(5-14)9-24/h1-3,10-11,13-16H,4-9,12H2,(H,28,33)/t14-,15+,16-,24-
InChIKey OTPDIVOXMXODPM-FNTHXKTLSA-N
Mol Weight 515.4 g/mol
Molecular Formula C24H24Cl2N6O3
Exact Mass 514.128694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CwzNYgXRsNT
Name 1-(1-adamantyl)-N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]-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/C24H24Cl2N6O3/c25-19-2-1-3-20(26)18(19)12-30-11-17(10-27-30)28-23(33)22-21(32(34)35)13-31(29-22)24-7-14-4-15(8-24)6-16(5-14)9-24/h1-3,10-11,13-16H,4-9,12H2,(H,28,33)/t14-,15+,16-,24-
InChIKey OTPDIVOXMXODPM-FNTHXKTLSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3783
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: 9317348; UBI_ID: UBI-003784
Temperature 318 °C