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

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2-dimethylpent-3-yl tetradecyl ester
SpectraBase Compound ID IiyXiSkVA9R
InChI InChI=1S/C29H48O4/c1-6-8-9-10-11-12-13-14-15-16-17-20-23-32-27(30)24-21-18-19-22-25(24)28(31)33-26(7-2)29(3,4)5/h18-19,21-22,26H,6-17,20,23H2,1-5H3
InChIKey WGRFXFSHQBGAKM-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 Fu7yAVZrOO7
Name Phthalic acid, 2,2-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/c1-6-8-9-10-11-12-13-14-15-16-17-20-23-32-27(30)24-21-18-19-22-25(24)28(31)33-26(7-2)29(3,4)5/h18-19,21-22,26H,6-17,20,23H2,1-5H3
InChIKey WGRFXFSHQBGAKM-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C(OC(CC)C(C)(C)C)=O