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1-(1-adamantyl)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 5lDLK7YdD8k
InChI InChI=1S/C24H25FN6O3/c25-19-3-1-15(2-4-19)12-29-13-20(11-26-29)27-23(32)22-21(31(33)34)14-30(28-22)24-8-16-5-17(9-24)7-18(6-16)10-24/h1-4,11,13-14,16-18H,5-10,12H2,(H,27,32)/t16-,17+,18-,24-
InChIKey XCJBIUOAMZHYSD-OXLXHMEASA-N
Mol Weight 464.5 g/mol
Molecular Formula C24H25FN6O3
Exact Mass 464.197217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K6j0YC43XEu
Name 1-(1-adamantyl)-N-[1-(4-fluorobenzyl)-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/C24H25FN6O3/c25-19-3-1-15(2-4-19)12-29-13-20(11-26-29)27-23(32)22-21(31(33)34)14-30(28-22)24-8-16-5-17(9-24)7-18(6-16)10-24/h1-4,11,13-14,16-18H,5-10,12H2,(H,27,32)/t16-,17+,18-,24-
InChIKey XCJBIUOAMZHYSD-OXLXHMEASA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3779
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: 9317998; UBI_ID: UBI-003780
Temperature 313 °C