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Succinic acid, 2,3-dimethylphenyl heptadecyl ester

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

Succinic acid, 2,3-dimethylphenyl heptadecyl ester
SpectraBase Compound ID 9JPvTlHInAA
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)22-23-29(31)33-27-21-19-20-25(2)26(27)3/h19-21H,4-18,22-24H2,1-3H3
InChIKey PTKWUIUYEKBXBN-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 FSRPHjLv5nq
Name Succinic acid, 2,3-dimethylphenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)22-23-29(31)33-27-21-19-20-25(2)26(27)3/h19-21H,4-18,22-24H2,1-3H3
InChIKey PTKWUIUYEKBXBN-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CC(OC1=C(C(C)=CC=C1)C)=O)C(OCCCCCCCCCCCCCCCCC)=O