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Phthalic acid, isobutyl 3-(2-methoxyethyl)octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl 3-(2-methoxyethyl)octyl ester
SpectraBase Compound ID A5XXkZT2F38
InChI InChI=1S/C23H36O5/c1-5-6-7-10-19(13-15-26-4)14-16-27-22(24)20-11-8-9-12-21(20)23(25)28-17-18(2)3/h8-9,11-12,18-19H,5-7,10,13-17H2,1-4H3
InChIKey ACFPHDLSTNOEPT-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZlgdYVLvkB
Name Phthalic acid, isobutyl 3-(2-methoxyethyl)octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-5-6-7-10-19(13-15-26-4)14-16-27-22(24)20-11-8-9-12-21(20)23(25)28-17-18(2)3/h8-9,11-12,18-19H,5-7,10,13-17H2,1-4H3
InChIKey ACFPHDLSTNOEPT-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C1(=C(C=CC=C1)C(OCC(C)C)=O)C(OCCC(CCCCC)CCOC)=O