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Sebacic acid, 2,4-dimethylpent-3-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dimethylpent-3-yl pentadecyl ester
SpectraBase Compound ID 8QUJb02auxp
InChI InChI=1S/C32H62O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-35-30(33)25-22-19-16-17-20-23-26-31(34)36-32(28(2)3)29(4)5/h28-29,32H,6-27H2,1-5H3
InChIKey IQDRZKWTALQNIE-UHFFFAOYSA-N
Mol Weight 510.8 g/mol
Molecular Formula C32H62O4
Exact Mass 510.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BujlSb1kFAv
Name Sebacic acid, 2,4-dimethylpent-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.464810472 u
Formula C32H62O4
InChI InChI=1S/C32H62O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-35-30(33)25-22-19-16-17-20-23-26-31(34)36-32(28(2)3)29(4)5/h28-29,32H,6-27H2,1-5H3
InChIKey IQDRZKWTALQNIE-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCCCCCCCCCCCC)=O