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Pimelic acid, 2-naphthyl pentyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-naphthyl pentyl ester
SpectraBase Compound ID IXenly2uNiH
InChI InChI=1S/C22H28O4/c1-2-3-9-16-25-21(23)12-5-4-6-13-22(24)26-20-15-14-18-10-7-8-11-19(18)17-20/h7-8,10-11,14-15,17H,2-6,9,12-13,16H2,1H3
InChIKey KPHDHDFOGQBVAH-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LJiInTdCer
Name Pimelic acid, 2-naphthyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-2-3-9-16-25-21(23)12-5-4-6-13-22(24)26-20-15-14-18-10-7-8-11-19(18)17-20/h7-8,10-11,14-15,17H,2-6,9,12-13,16H2,1H3
InChIKey KPHDHDFOGQBVAH-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C(OC1=CC=C2C(=C1)C=CC=C2)(=O)CCCCCC(OCCCCC)=O