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

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dimethylpent-3-yl tetradecyl ester
SpectraBase Compound ID EhrufUqEdXU
InChI InChI=1S/C29H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28(30)25-20-17-18-21-26(25)29(31)33-27(23(2)3)24(4)5/h17-18,20-21,23-24,27H,6-16,19,22H2,1-5H3
InChIKey PLRMLBXUAOURDR-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 7XEvV1PGRi4
Name Phthalic acid, 2,4-dimethylpent-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28(30)25-20-17-18-21-26(25)29(31)33-27(23(2)3)24(4)5/h17-18,20-21,23-24,27H,6-16,19,22H2,1-5H3
InChIKey PLRMLBXUAOURDR-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCCC)C(OC(C(C)C)C(C)C)=O