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Sebacic acid, hexyl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl 1-naphthyl ester
SpectraBase Compound ID Ep1jlVtYJg7
InChI InChI=1S/C26H36O4/c1-2-3-4-13-21-29-25(27)19-9-7-5-6-8-10-20-26(28)30-24-18-14-16-22-15-11-12-17-23(22)24/h11-12,14-18H,2-10,13,19-21H2,1H3
InChIKey PFBNKGQPFHXRQO-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5cqCe7Mk3V
Name Sebacic acid, hexyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.261359635 u
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-2-3-4-13-21-29-25(27)19-9-7-5-6-8-10-20-26(28)30-24-18-14-16-22-15-11-12-17-23(22)24/h11-12,14-18H,2-10,13,19-21H2,1H3
InChIKey PFBNKGQPFHXRQO-UHFFFAOYSA-N
Molecular Weight 412.570 g/mol
SMILES C(CCCCCCCC(OC=1C2=CC=CC=C2C=CC1)=O)C(OCCCCCC)=O