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Pimelic acid, octyl 1-phenylpropyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, octyl 1-phenylpropyl ester
SpectraBase Compound ID 1c5ZxzuuBhZ
InChI InChI=1S/C24H38O4/c1-3-5-6-7-8-15-20-27-23(25)18-13-10-14-19-24(26)28-22(4-2)21-16-11-9-12-17-21/h9,11-12,16-17,22H,3-8,10,13-15,18-20H2,1-2H3
InChIKey BVBQRIKLMAWSEB-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOyZqW5KAem
Name Pimelic acid, octyl 1-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-3-5-6-7-8-15-20-27-23(25)18-13-10-14-19-24(26)28-22(4-2)21-16-11-9-12-17-21/h9,11-12,16-17,22H,3-8,10,13-15,18-20H2,1-2H3
InChIKey BVBQRIKLMAWSEB-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(CCCC(OCCCCCCCC)=O)CC(OC(CC)C1=CC=CC=C1)=O