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methyl 2-({[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)benzoate
SpectraBase Compound ID HUU5ekSk87w
InChI InChI=1S/C22H24N4O5/c1-31-21(28)16-4-2-3-5-17(16)23-20(27)19-18(26(29)30)12-25(24-19)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15H,6-11H2,1H3,(H,23,27)
InChIKey SCLXYZUVIMRRON-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 Dimvn6ZptFU
Name methyl 2-({[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)benzoate
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/c1-31-21(28)16-4-2-3-5-17(16)23-20(27)19-18(26(29)30)12-25(24-19)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15H,6-11H2,1H3,(H,23,27)
InChIKey SCLXYZUVIMRRON-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3507
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/9161663; Labnumber: BAC_UAMK/012070; UZI_ID: UZI-003509
Temperature 308 °C