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Pimelic acid, dodecyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, dodecyl 3-phenylpropyl ester
SpectraBase Compound ID KHEMQ4u3ouD
InChI InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-17-24-31-27(29)22-15-12-16-23-28(30)32-25-18-21-26-19-13-11-14-20-26/h11,13-14,19-20H,2-10,12,15-18,21-25H2,1H3
InChIKey NKUOCCVXRZAIEN-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XMEjQWzFft
Name Pimelic acid, dodecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-17-24-31-27(29)22-15-12-16-23-28(30)32-25-18-21-26-19-13-11-14-20-26/h11,13-14,19-20H,2-10,12,15-18,21-25H2,1H3
InChIKey NKUOCCVXRZAIEN-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCCCCCCCCCC)=O