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1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

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1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID H1WpsoKnYXJ
InChI InChI=1S/C25H28N2O6/c1-32-23(28)20-13-26(25-10-15-6-16(11-25)8-17(7-15)12-25)14-21(24(29)33-2)22(20)18-4-3-5-19(9-18)27(30)31/h3-5,9,13-17,22H,6-8,10-12H2,1-2H3/t15-,16+,17-,25-
InChIKey FBDSVFHJEUIZES-CIRRPZLZSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JBcYdk5OX7l
Name 3,5-pyridinedicarboxylic acid, 1,4-dihydro-4-(3-nitrophenyl)-1-tricyclo[3.3.1.1~3,7~]dec-1-yl-, dimethyl 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 452.194736624 u
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-32-23(28)20-13-26(25-10-15-6-16(11-25)8-17(7-15)12-25)14-21(24(29)33-2)22(20)18-4-3-5-19(9-18)27(30)31/h3-5,9,13-17,22H,6-8,10-12H2,1-2H3/t15-,16+,17-,25-
InChIKey FBDSVFHJEUIZES-CIRRPZLZSA-N
Molecular Weight 452.507 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14665
Solvent DMSO-d6
Source Vendor ID: NMR/10311508; Lab Info: SAS; Lab Number: SAS-tst4303