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Sebacic acid, 4-phenylphenyl propyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-phenylphenyl propyl ester
SpectraBase Compound ID 3rBwxYQMVTu
InChI InChI=1S/C25H32O4/c1-2-20-28-24(26)14-10-5-3-4-6-11-15-25(27)29-23-18-16-22(17-19-23)21-12-8-7-9-13-21/h7-9,12-13,16-19H,2-6,10-11,14-15,20H2,1H3
InChIKey DSWITHXLERPITO-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 8uiykQKMjxk
Name Sebacic acid, 4-phenylphenyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-20-28-24(26)14-10-5-3-4-6-11-15-25(27)29-23-18-16-22(17-19-23)21-12-8-7-9-13-21/h7-9,12-13,16-19H,2-6,10-11,14-15,20H2,1H3
InChIKey DSWITHXLERPITO-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(CCCCCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CCC(OCCC)=O