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Pimelic acid, hexyl 2-naphthyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, hexyl 2-naphthyl ester
SpectraBase Compound ID IAnmaoFqAra
InChI InChI=1S/C23H30O4/c1-2-3-4-10-17-26-22(24)13-6-5-7-14-23(25)27-21-16-15-19-11-8-9-12-20(19)18-21/h8-9,11-12,15-16,18H,2-7,10,13-14,17H2,1H3
InChIKey NDEADIRDUBEQSX-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYX3QiHzlfH
Name Pimelic acid, hexyl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-2-3-4-10-17-26-22(24)13-6-5-7-14-23(25)27-21-16-15-19-11-8-9-12-20(19)18-21/h8-9,11-12,15-16,18H,2-7,10,13-14,17H2,1H3
InChIKey NDEADIRDUBEQSX-UHFFFAOYSA-N
Molecular Weight 370.489 g/mol
SMILES C(OC1=CC=C2C(=C1)C=CC=C2)(=O)CCCCCC(OCCCCCC)=O