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Phthalic acid, isohexyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 4-isopropylphenyl ester
SpectraBase Compound ID BxkOOUCqwIC
InChI InChI=1S/C23H28O4/c1-16(2)8-7-15-26-22(24)20-9-5-6-10-21(20)23(25)27-19-13-11-18(12-14-19)17(3)4/h5-6,9-14,16-17H,7-8,15H2,1-4H3
InChIKey VJDQJYGXPYPGGQ-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WXHJMkrqTE
Name Phthalic acid, isohexyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-16(2)8-7-15-26-22(24)20-9-5-6-10-21(20)23(25)27-19-13-11-18(12-14-19)17(3)4/h5-6,9-14,16-17H,7-8,15H2,1-4H3
InChIKey VJDQJYGXPYPGGQ-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C(C1=CC=CC=C1C(OC1=CC=C(C(C)C)C=C1)=O)(=O)OCCCC(C)C