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Sebacic acid, pentadecyl 2-propylpentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentadecyl 2-propylpentyl ester
SpectraBase Compound ID EcdeGZmif3s
InChI InChI=1S/C33H64O4/c1-4-7-8-9-10-11-12-13-14-15-18-21-24-29-36-32(34)27-22-19-16-17-20-23-28-33(35)37-30-31(25-5-2)26-6-3/h31H,4-30H2,1-3H3
InChIKey CATRYSQLGZOZLQ-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C33H64O4
Exact Mass 524.480461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WO2v5sZdNI
Name Sebacic acid, pentadecyl 2-propylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 524.480460537 u
Formula C33H64O4
InChI InChI=1S/C33H64O4/c1-4-7-8-9-10-11-12-13-14-15-18-21-24-29-36-32(34)27-22-19-16-17-20-23-28-33(35)37-30-31(25-5-2)26-6-3/h31H,4-30H2,1-3H3
InChIKey CATRYSQLGZOZLQ-UHFFFAOYSA-N
Molecular Weight 524.871 g/mol
SMILES C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCCCCCCCCCCC)=O