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Sebacic acid, 4-methylpent-2-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-methylpent-2-yl tetradecyl ester
SpectraBase Compound ID 3oSURA4CvfL
InChI InChI=1S/C30H58O4/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-33-29(31)23-20-17-14-15-18-21-24-30(32)34-28(4)26-27(2)3/h27-28H,5-26H2,1-4H3
InChIKey KCSJXRUIYYNOLX-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 45lNYwf83dO
Name Sebacic acid, 4-methylpent-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-33-29(31)23-20-17-14-15-18-21-24-30(32)34-28(4)26-27(2)3/h27-28H,5-26H2,1-4H3
InChIKey KCSJXRUIYYNOLX-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCC(OC(CC(C)C)C)=O)CCCC(OCCCCCCCCCCCCCC)=O