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

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dimethylpent-3-yl tetradecyl ester
SpectraBase Compound ID I1fh7EyTCwM
InChI InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-34-29(32)24-21-18-15-16-19-22-25-30(33)35-31(27(2)3)28(4)5/h27-28,31H,6-26H2,1-5H3
InChIKey KQRQQLMMHHHLBA-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55Vvt8YR2GD
Name Sebacic acid, 2,4-dimethylpent-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.449160408 u
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-34-29(32)24-21-18-15-16-19-22-25-30(33)35-31(27(2)3)28(4)5/h27-28,31H,6-26H2,1-5H3
InChIKey KQRQQLMMHHHLBA-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCCCCCCCCCCC)=O