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Sebacic acid, 2-methylpent-3-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-methylpent-3-yl tetradecyl ester
SpectraBase Compound ID 5VClzmxEHYj
InChI InChI=1S/C30H58O4/c1-5-7-8-9-10-11-12-13-14-17-20-23-26-33-29(31)24-21-18-15-16-19-22-25-30(32)34-28(6-2)27(3)4/h27-28H,5-26H2,1-4H3
InChIKey TYQJJVHWLABDEN-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 4CLatTL85dy
Name Sebacic acid, 2-methylpent-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-5-7-8-9-10-11-12-13-14-17-20-23-26-33-29(31)24-21-18-15-16-19-22-25-30(32)34-28(6-2)27(3)4/h27-28H,5-26H2,1-4H3
InChIKey TYQJJVHWLABDEN-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCC(OC(C(C)C)CC)=O)CCCC(OCCCCCCCCCCCCCC)=O