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Pimelic acid, 2-naphthyl octyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-naphthyl octyl ester
SpectraBase Compound ID HWtwshkEX30
InChI InChI=1S/C25H34O4/c1-2-3-4-5-6-12-19-28-24(26)15-8-7-9-16-25(27)29-23-18-17-21-13-10-11-14-22(21)20-23/h10-11,13-14,17-18,20H,2-9,12,15-16,19H2,1H3
InChIKey ULLSUBIYIXQOKR-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PfThOP7bEC
Name Pimelic acid, 2-naphthyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-2-3-4-5-6-12-19-28-24(26)15-8-7-9-16-25(27)29-23-18-17-21-13-10-11-14-22(21)20-23/h10-11,13-14,17-18,20H,2-9,12,15-16,19H2,1H3
InChIKey ULLSUBIYIXQOKR-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C(OC1=CC=C2C(=C1)C=CC=C2)(=O)CCCCCC(OCCCCCCCC)=O