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Phthalic acid, heptyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 4-isopropylphenyl ester
SpectraBase Compound ID 8HWUPF6k7KW
InChI InChI=1S/C24H30O4/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)28-20-15-13-19(14-16-20)18(2)3/h8-9,11-16,18H,4-7,10,17H2,1-3H3
InChIKey MVYAPKDLJXUGQG-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jAVjJjGHlg
Name Phthalic acid, heptyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)28-20-15-13-19(14-16-20)18(2)3/h8-9,11-16,18H,4-7,10,17H2,1-3H3
InChIKey MVYAPKDLJXUGQG-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C(C1=CC=CC=C1C(OC1=CC=C(C(C)C)C=C1)=O)(=O)OCCCCCCC