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Sebacic acid, pentadecyl phenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentadecyl phenyl ester
SpectraBase Compound ID 76fUxb59BCL
InChI InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-28-34-30(32)26-21-15-12-13-16-22-27-31(33)35-29-24-19-18-20-25-29/h18-20,24-25H,2-17,21-23,26-28H2,1H3
InChIKey JYGXANXFBFMLFG-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IwXJzgG68j
Name Sebacic acid, pentadecyl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-28-34-30(32)26-21-15-12-13-16-22-27-31(33)35-29-24-19-18-20-25-29/h18-20,24-25H,2-17,21-23,26-28H2,1H3
InChIKey JYGXANXFBFMLFG-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCCCCCCCCCCC)=O