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Sebacic acid, 1-naphthyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 1-naphthyl octyl ester
SpectraBase Compound ID 4hZh45ceoEJ
InChI InChI=1S/C28H40O4/c1-2-3-4-5-10-15-23-31-27(29)21-11-8-6-7-9-12-22-28(30)32-26-20-16-18-24-17-13-14-19-25(24)26/h13-14,16-20H,2-12,15,21-23H2,1H3
InChIKey RYQXLAWADRJGCT-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27QGpAf44JK
Name Sebacic acid, 1-naphthyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.292659764 u
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-2-3-4-5-10-15-23-31-27(29)21-11-8-6-7-9-12-22-28(30)32-26-20-16-18-24-17-13-14-19-25(24)26/h13-14,16-20H,2-12,15,21-23H2,1H3
InChIKey RYQXLAWADRJGCT-UHFFFAOYSA-N
Molecular Weight 440.624 g/mol
SMILES C(CCCCCCCC(OC=1C2=CC=CC=C2C=CC1)=O)C(OCCCCCCCC)=O