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

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dimethylpent-3-yl octadecyl ester
SpectraBase Compound ID L59sQqcsz9t
InChI InChI=1S/C35H68O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-38-33(36)28-25-22-19-20-23-26-29-34(37)39-35(31(2)3)32(4)5/h31-32,35H,6-30H2,1-5H3
InChIKey ROTTVKYSIPZRPE-UHFFFAOYSA-N
Mol Weight 552.9 g/mol
Molecular Formula C35H68O4
Exact Mass 552.511761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsmfmYr9UpE
Name Sebacic acid, 2,4-dimethylpent-3-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 552.511760666 u
Formula C35H68O4
InChI InChI=1S/C35H68O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-38-33(36)28-25-22-19-20-23-26-29-34(37)39-35(31(2)3)32(4)5/h31-32,35H,6-30H2,1-5H3
InChIKey ROTTVKYSIPZRPE-UHFFFAOYSA-N
Molecular Weight 552.925 g/mol
SMILES C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCCCCCCCCCCCCCCC)=O