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Sebacic acid, 2-naphthyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-naphthyl pentyl ester
SpectraBase Compound ID FWvvomZCbmF
InChI InChI=1S/C25H34O4/c1-2-3-12-19-28-24(26)15-8-6-4-5-7-9-16-25(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 IBQJLLQTVBLMIT-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 4ZS97gDDhRn
Name Sebacic acid, 2-naphthyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-2-3-12-19-28-24(26)15-8-6-4-5-7-9-16-25(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 IBQJLLQTVBLMIT-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C(CCCCCCCC(OC=1C=C2C=CC=CC2=CC1)=O)C(OCCCCC)=O