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Sebacic acid, 1-naphthyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 1-naphthyl pentyl ester
SpectraBase Compound ID 77OvccPnpk7
InChI InChI=1S/C25H34O4/c1-2-3-12-20-28-24(26)18-8-6-4-5-7-9-19-25(27)29-23-17-13-15-21-14-10-11-16-22(21)23/h10-11,13-17H,2-9,12,18-20H2,1H3
InChIKey IENBICCAKXPYIG-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 L4rEA0Gfx0R
Name Sebacic acid, 1-naphthyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-2-3-12-20-28-24(26)18-8-6-4-5-7-9-19-25(27)29-23-17-13-15-21-14-10-11-16-22(21)23/h10-11,13-17H,2-9,12,18-20H2,1H3
InChIKey IENBICCAKXPYIG-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C(CCCCCCCC(OC=1C2=CC=CC=C2C=CC1)=O)C(OCCCCC)=O