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3-(1-adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3-(1-adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
SpectraBase Compound ID BqTvGhbrEPT
InChI InChI=1S/C20H22N2O2/c23-19(24)17-12-22(16-4-2-1-3-5-16)21-18(17)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2,(H,23,24)/t13-,14+,15-,20-
InChIKey HJDASZASOCACNB-PVGDPBLGSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2FpDJrdmQ6H
Name 1H-pyrazole-4-carboxylic acid, 1-phenyl-3-tricyclo[3.3.1.1~3,7~]dec-1-yl-
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/C20H22N2O2/c23-19(24)17-12-22(16-4-2-1-3-5-16)21-18(17)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2,(H,23,24)/t13-,14+,15-,20-
InChIKey HJDASZASOCACNB-PVGDPBLGSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7476
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: ZERO/001412; IOH_ID: IOH-014480
Temperature 297 °C