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Pimelic acid, 2-naphthyl nonyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-naphthyl nonyl ester
SpectraBase Compound ID K9JOZw1ehQ6
InChI InChI=1S/C26H36O4/c1-2-3-4-5-6-7-13-20-29-25(27)16-9-8-10-17-26(28)30-24-19-18-22-14-11-12-15-23(22)21-24/h11-12,14-15,18-19,21H,2-10,13,16-17,20H2,1H3
InChIKey YCQPGBRNGGWALS-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 KMTKUnaLTf4
Name Pimelic acid, 2-naphthyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.261359635 u
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-2-3-4-5-6-7-13-20-29-25(27)16-9-8-10-17-26(28)30-24-19-18-22-14-11-12-15-23(22)21-24/h11-12,14-15,18-19,21H,2-10,13,16-17,20H2,1H3
InChIKey YCQPGBRNGGWALS-UHFFFAOYSA-N
Molecular Weight 412.570 g/mol
SMILES C(OC1=CC=C2C(=C1)C=CC=C2)(=O)CCCCCC(OCCCCCCCCC)=O