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Pimelic acid, 4-methyl-2-pentyl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-methyl-2-pentyl 1-naphthyl ester
SpectraBase Compound ID 91Jnz0lQdB1
InChI InChI=1S/C23H30O4/c1-17(2)16-18(3)26-22(24)14-5-4-6-15-23(25)27-21-13-9-11-19-10-7-8-12-20(19)21/h7-13,17-18H,4-6,14-16H2,1-3H3
InChIKey SFRGCKFHPPIRLZ-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 4PwZhWDwoSO
Name Pimelic acid, 4-methyl-2-pentyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-17(2)16-18(3)26-22(24)14-5-4-6-15-23(25)27-21-13-9-11-19-10-7-8-12-20(19)21/h7-13,17-18H,4-6,14-16H2,1-3H3
InChIKey SFRGCKFHPPIRLZ-UHFFFAOYSA-N
Molecular Weight 370.489 g/mol
SMILES C(OC1=CC=CC2=C1C=CC=C2)(=O)CCCCCC(OC(CC(C)C)C)=O