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Pimelic acid, di(3-phenylpropyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Pimelic acid, di(3-phenylpropyl) ester
SpectraBase Compound ID F9iOZ1COIqR
InChI InChI=1S/C25H32O4/c26-24(28-20-10-16-22-12-4-1-5-13-22)18-8-3-9-19-25(27)29-21-11-17-23-14-6-2-7-15-23/h1-2,4-7,12-15H,3,8-11,16-21H2
InChIKey LRPSWUFYPYNCOV-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlOhrRaYUbX
Name Pimelic acid, di(3-phenylpropyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c26-24(28-20-10-16-22-12-4-1-5-13-22)18-8-3-9-19-25(27)29-21-11-17-23-14-6-2-7-15-23/h1-2,4-7,12-15H,3,8-11,16-21H2
InChIKey LRPSWUFYPYNCOV-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCC1=CC=CC=C1)=O