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Sebacic acid, decyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 3-phenylpropyl ester
SpectraBase Compound ID AxURDiE2Clx
InChI InChI=1S/C29H48O4/c1-2-3-4-5-6-9-12-18-25-32-28(30)23-16-10-7-8-11-17-24-29(31)33-26-19-22-27-20-14-13-15-21-27/h13-15,20-21H,2-12,16-19,22-26H2,1H3
InChIKey JGISYYPXSOXOGU-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2z9HFer9gdN
Name Sebacic acid, decyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-2-3-4-5-6-9-12-18-25-32-28(30)23-16-10-7-8-11-17-24-29(31)33-26-19-22-27-20-14-13-15-21-27/h13-15,20-21H,2-12,16-19,22-26H2,1H3
InChIKey JGISYYPXSOXOGU-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCCCCCCCCC)=O