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Succinic acid, pentadecyl 4-tert-butylphenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, pentadecyl 4-tert-butylphenyl ester
SpectraBase Compound ID 7FJb9Hguial
InChI InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32-27(30)22-23-28(31)33-26-20-18-25(19-21-26)29(2,3)4/h18-21H,5-17,22-24H2,1-4H3
InChIKey IYFYQQQOSYAVNA-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Dj8zUcLojZ
Name Succinic acid, pentadecyl 4-tert-butylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32-27(30)22-23-28(31)33-26-20-18-25(19-21-26)29(2,3)4/h18-21H,5-17,22-24H2,1-4H3
InChIKey IYFYQQQOSYAVNA-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(COC(CCC(OC1=CC=C(C=C1)C(C)(C)C)=O)=O)CCCCCCCCCCCCC