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Phthalic acid, isohexyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 2-isopropoxyphenyl ester
SpectraBase Compound ID CcSpnkCPpJM
InChI InChI=1S/C23H28O5/c1-16(2)10-9-15-26-22(24)18-11-5-6-12-19(18)23(25)28-21-14-8-7-13-20(21)27-17(3)4/h5-8,11-14,16-17H,9-10,15H2,1-4H3
InChIKey WIARJGOAWDFBFH-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VdlQ4tO39I
Name Phthalic acid, isohexyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-16(2)10-9-15-26-22(24)18-11-5-6-12-19(18)23(25)28-21-14-8-7-13-20(21)27-17(3)4/h5-8,11-14,16-17H,9-10,15H2,1-4H3
InChIKey WIARJGOAWDFBFH-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C(C1=C(C(=O)OCCCC(C)C)C=CC=C1)(=O)OC1=C(C=CC=C1)OC(C)C