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Sebacic acid, 3,3-dimethylbut-2-yl hexadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3,3-dimethylbut-2-yl hexadecyl ester
SpectraBase Compound ID 3hqTlPHCHk5
InChI InChI=1S/C32H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-35-30(33)26-23-20-17-18-21-24-27-31(34)36-29(2)32(3,4)5/h29H,6-28H2,1-5H3
InChIKey YMUMDAXINCWASP-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 DWb0NUVcQ11
Name Sebacic acid, 3,3-dimethylbut-2-yl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.464810472 u
Formula C32H62O4
InChI InChI=1S/C32H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-35-30(33)26-23-20-17-18-21-24-27-31(34)36-29(2)32(3,4)5/h29H,6-28H2,1-5H3
InChIKey YMUMDAXINCWASP-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCCCCCCCCCCCCC)=O