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

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dimethylpent-3-yl tridecyl ester
SpectraBase Compound ID DgoxrlETR04
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-16-19-22-25-33-28(31)23-20-17-14-15-18-21-24-29(32)34-30(26(2)3)27(4)5/h26-27,30H,6-25H2,1-5H3
InChIKey BMEMCULPXWNKSY-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8pJW4ERm8t
Name Sebacic acid, 2,4-dimethylpent-3-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-16-19-22-25-33-28(31)23-20-17-14-15-18-21-24-29(32)34-30(26(2)3)27(4)5/h26-27,30H,6-25H2,1-5H3
InChIKey BMEMCULPXWNKSY-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCCCCCCCCCC)=O