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

View entire compound with spectra: 1 NMR

Sebacic acid, 3,3-dimethylbut-2-yl tetradecyl ester
SpectraBase Compound ID Ja8RzbWlp6a
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-33-28(31)24-21-18-15-16-19-22-25-29(32)34-27(2)30(3,4)5/h27H,6-26H2,1-5H3
InChIKey STHZPTBHUXBNQE-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 4hz2GX2PUXV
Name Sebacic acid, 3,3-dimethylbut-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-33-28(31)24-21-18-15-16-19-22-25-29(32)34-27(2)30(3,4)5/h27H,6-26H2,1-5H3
InChIKey STHZPTBHUXBNQE-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCCCCCCCCCCC)=O