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2,6-Pyridinedicarboxylic acid, di(3-phenylpropyl) ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, di(3-phenylpropyl) ester
SpectraBase Compound ID 7xrmpP8rKFQ
InChI InChI=1S/C25H25NO4/c27-24(29-18-8-14-20-10-3-1-4-11-20)22-16-7-17-23(26-22)25(28)30-19-9-15-21-12-5-2-6-13-21/h1-7,10-13,16-17H,8-9,14-15,18-19H2
InChIKey IHDSOUUNFAGNCN-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C25H25NO4
Exact Mass 403.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zkhATSqimW
Name 2,6-Pyridinedicarboxylic acid, di(3-phenylpropyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 403.178358285 u
Formula C25H25NO4
InChI InChI=1S/C25H25NO4/c27-24(29-18-8-14-20-10-3-1-4-11-20)22-16-7-17-23(26-22)25(28)30-19-9-15-21-12-5-2-6-13-21/h1-7,10-13,16-17H,8-9,14-15,18-19H2
InChIKey IHDSOUUNFAGNCN-UHFFFAOYSA-N
Molecular Weight 403.478 g/mol
SMILES C1=CC=C(C=C1)CCCOC(C=1N=C(C(OCCCC2=CC=CC=C2)=O)C=CC1)=O