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Phthalic acid, octyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID F25zZC41BTW
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-13-16-27-22(25)20-14-11-12-15-21(20)23(26)28-18-19(2)17-24(3,4)5/h11-12,14-15,19H,6-10,13,16-18H2,1-5H3
InChIKey JROSXXLADULBHD-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BU1qcNJ8gZW
Name Phthalic acid, octyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-13-16-27-22(25)20-14-11-12-15-21(20)23(26)28-18-19(2)17-24(3,4)5/h11-12,14-15,19H,6-10,13,16-18H2,1-5H3
InChIKey JROSXXLADULBHD-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(C1=CC=CC=C1C(OCC(C)CC(C)(C)C)=O)(OCCCCCCCC)=O