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1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide

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1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID GZWaRAa96aD
InChI InChI=1S/C22H24N4O5/c27-21(23-10-13-1-2-18-19(6-13)31-12-30-18)20-17(26(28)29)11-25(24-20)22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11,14-16H,3-5,7-10,12H2,(H,23,27)
InChIKey MKMLHZKDTOKKAP-UHFFFAOYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C22H24N4O5
Exact Mass 424.17467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKcQYszr29y
Name 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-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/C22H24N4O5/c27-21(23-10-13-1-2-18-19(6-13)31-12-30-18)20-17(26(28)29)11-25(24-20)22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11,14-16H,3-5,7-10,12H2,(H,23,27)
InChIKey MKMLHZKDTOKKAP-UHFFFAOYSA-N
NMR Offset 15.3538
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3605
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/9152935; Labnumber: BAC_UAMK/014122; UZI_ID: UZI-003607
Temperature 308 °C