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1-[2-(1-adamantyloxy)ethyl]-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID Fnx6BERncXj
InChI InChI=1S/C28H32F3NO6/c1-35-25(33)22-15-32(7-8-37-27-12-17-9-18(13-27)11-19(10-17)14-27)16-23(26(34)36-2)24(22)20-3-5-21(6-4-20)38-28(29,30)31/h3-6,15-19,24H,7-14H2,1-2H3
InChIKey AMDAODOZCJSYGY-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C28H32F3NO6
Exact Mass 535.218172 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HglRU0etdKP
Name 3,5-pyridinedicarboxylic acid, 1,4-dihydro-1-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)ethyl]-4-[4-(trifluoromethoxy)phenyl]-, 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 535.218172237 u
Formula C28H32F3NO6
InChI InChI=1S/C28H32F3NO6/c1-35-25(33)22-15-32(7-8-37-27-12-17-9-18(13-27)11-19(10-17)14-27)16-23(26(34)36-2)24(22)20-3-5-21(6-4-20)38-28(29,30)31/h3-6,15-19,24H,7-14H2,1-2H3
InChIKey AMDAODOZCJSYGY-UHFFFAOYSA-N
Molecular Weight 535.560 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15417
Solvent DMSO-d6
Source Vendor ID: NMR/11241299; Lab Info: SAS; Lab Number: SAS-tstz017