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1H-pyrazole-3-carboxylic acid, 1-phenyl-5-tricyclo[3.3.1.1~3,7~]dec-1-yl-, 2-(4-methylphenyl)-2-oxoethyl ester
SpectraBase Compound ID 8qdxYUZKDio
InChI InChI=1S/C29H30N2O3/c1-19-7-9-23(10-8-19)26(32)18-34-28(33)25-14-27(31(30-25)24-5-3-2-4-6-24)29-15-20-11-21(16-29)13-22(12-20)17-29/h2-10,14,20-22H,11-13,15-18H2,1H3/t20-,21+,22-,29-
InChIKey XUEIUATWJAPPNF-OSEPQLNNSA-N
Mol Weight 454.57 g/mol
Molecular Formula C29H30N2O3
Exact Mass 454.225643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vxxcNoPDp8
Name 1H-pyrazole-3-carboxylic acid, 1-phenyl-5-tricyclo[3.3.1.1~3,7~]dec-1-yl-, 2-(4-methylphenyl)-2-oxoethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.225642831 u
Formula C29H30N2O3
InChI InChI=1S/C29H30N2O3/c1-19-7-9-23(10-8-19)26(32)18-34-28(33)25-14-27(31(30-25)24-5-3-2-4-6-24)29-15-20-11-21(16-29)13-22(12-20)17-29/h2-10,14,20-22H,11-13,15-18H2,1H3/t20-,21+,22-,29-
InChIKey XUEIUATWJAPPNF-OSEPQLNNSA-N
Molecular Weight 454.570 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8692
Solvent DMSO-d6
Source Vendor ID: ZI/9094344; Lab Info: AI; Lab Number: AI-1299012