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Pimelic acid, heptyl 2-naphthyl ester
SpectraBase Compound ID 3er2XhxAPmv
InChI InChI=1S/C24H32O4/c1-2-3-4-5-11-18-27-23(25)14-7-6-8-15-24(26)28-22-17-16-20-12-9-10-13-21(20)19-22/h9-10,12-13,16-17,19H,2-8,11,14-15,18H2,1H3
InChIKey QVLUQCSUIPMPGV-UHFFFAOYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMefOpMRDcn
Name Pimelic acid, heptyl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.230059506 u
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-2-3-4-5-11-18-27-23(25)14-7-6-8-15-24(26)28-22-17-16-20-12-9-10-13-21(20)19-22/h9-10,12-13,16-17,19H,2-8,11,14-15,18H2,1H3
InChIKey QVLUQCSUIPMPGV-UHFFFAOYSA-N
Molecular Weight 384.516 g/mol
SMILES C(OC1=CC=C2C(=C1)C=CC=C2)(=O)CCCCCC(OCCCCCCC)=O