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Sebacic acid, 3-phenylpropyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-phenylpropyl undecyl ester
SpectraBase Compound ID IjN5JHOUUNa
InChI InChI=1S/C30H50O4/c1-2-3-4-5-6-7-10-13-19-26-33-29(31)24-17-11-8-9-12-18-25-30(32)34-27-20-23-28-21-15-14-16-22-28/h14-16,21-22H,2-13,17-20,23-27H2,1H3
InChIKey FRTDDUKKTIRHMN-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6JUkZvQ0jQ
Name Sebacic acid, 3-phenylpropyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-2-3-4-5-6-7-10-13-19-26-33-29(31)24-17-11-8-9-12-18-25-30(32)34-27-20-23-28-21-15-14-16-22-28/h14-16,21-22H,2-13,17-20,23-27H2,1H3
InChIKey FRTDDUKKTIRHMN-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCCCCCCCCCC)=O