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Phthalic acid, octyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 4-isopropylphenyl ester
SpectraBase Compound ID GNUFsszchgf
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-11-18-28-24(26)22-12-9-10-13-23(22)25(27)29-21-16-14-20(15-17-21)19(2)3/h9-10,12-17,19H,4-8,11,18H2,1-3H3
InChIKey JABDVGFJFZTLPE-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrP3rie44i5
Name Phthalic acid, octyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-11-18-28-24(26)22-12-9-10-13-23(22)25(27)29-21-16-14-20(15-17-21)19(2)3/h9-10,12-17,19H,4-8,11,18H2,1-3H3
InChIKey JABDVGFJFZTLPE-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(C1=CC=CC=C1C(OC1=CC=C(C(C)C)C=C1)=O)(=O)OCCCCCCCC