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Succinic acid, 3,3-dimethylbut-2-yl heptadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 3,3-dimethylbut-2-yl heptadecyl ester
SpectraBase Compound ID IF0etTAXvlL
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)21-22-26(29)31-24(2)27(3,4)5/h24H,6-23H2,1-5H3
InChIKey XXOOEOZXUINFAE-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 872X2c8twKk
Name Succinic acid, 3,3-dimethylbut-2-yl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)21-22-26(29)31-24(2)27(3,4)5/h24H,6-23H2,1-5H3
InChIKey XXOOEOZXUINFAE-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(CC(OC(C(C)(C)C)C)=O)C(OCCCCCCCCCCCCCCCCC)=O