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1-(1-adamantylmethyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

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1-(1-adamantylmethyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JDkzkT5xVzD
InChI InChI=1S/C24H29NO4S/c1-28-22(26)18-12-25(13-19(23(27)29-2)21(18)20-4-3-5-30-20)14-24-9-15-6-16(10-24)8-17(7-15)11-24/h3-5,12-13,15-17,21H,6-11,14H2,1-2H3
InChIKey KUDVVTVTHSVYOY-UHFFFAOYSA-N
Mol Weight 427.56 g/mol
Molecular Formula C24H29NO4S
Exact Mass 427.18173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 33EBZjknQ1Q
Name 3,5-pyridinedicarboxylic acid, 1,4-dihydro-4-(2-thienyl)-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 427.181729588 u
Formula C24H29NO4S
InChI InChI=1S/C24H29NO4S/c1-28-22(26)18-12-25(13-19(23(27)29-2)21(18)20-4-3-5-30-20)14-24-9-15-6-16(10-24)8-17(7-15)11-24/h3-5,12-13,15-17,21H,6-11,14H2,1-2H3
InChIKey KUDVVTVTHSVYOY-UHFFFAOYSA-N
Molecular Weight 427.559 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15406
Solvent DMSO-d6
Source Vendor ID: NMR/11241286; Lab Info: SAS; Lab Number: SAS-tstz004