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1-(1-adamantylmethyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

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1-(1-adamantylmethyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID HuL5PFtjANv
InChI InChI=1S/C27H31NO6/c1-31-25(29)20-12-28(14-27-9-16-5-17(10-27)7-18(6-16)11-27)13-21(26(30)32-2)24(20)19-3-4-22-23(8-19)34-15-33-22/h3-4,8,12-13,16-18,24H,5-7,9-11,14-15H2,1-2H3
InChIKey DUDQKIDUUPLHSH-UHFFFAOYSA-N
Mol Weight 465.55 g/mol
Molecular Formula C27H31NO6
Exact Mass 465.215138 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8xHJIDvRuuW
Name 3,5-pyridinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4-dihydro-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-, 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 465.215137716 u
Formula C27H31NO6
InChI InChI=1S/C27H31NO6/c1-31-25(29)20-12-28(14-27-9-16-5-17(10-27)7-18(6-16)11-27)13-21(26(30)32-2)24(20)19-3-4-22-23(8-19)34-15-33-22/h3-4,8,12-13,16-18,24H,5-7,9-11,14-15H2,1-2H3
InChIKey DUDQKIDUUPLHSH-UHFFFAOYSA-N
Molecular Weight 465.546 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15405
Solvent DMSO-d6
Source Vendor ID: NMR/11241285; Lab Info: SAS; Lab Number: SAS-tstz003