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Phthalic acid, isohexyl 2-(2-methoxyethyl)hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 2-(2-methoxyethyl)hexyl ester
SpectraBase Compound ID GpDPUQaLoHc
InChI InChI=1S/C23H36O5/c1-5-6-11-19(14-16-26-4)17-28-23(25)21-13-8-7-12-20(21)22(24)27-15-9-10-18(2)3/h7-8,12-13,18-19H,5-6,9-11,14-17H2,1-4H3
InChIKey VWUJGHPVWCEVGV-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 GA06l4vUqod
Name Phthalic acid, isohexyl 2-(2-methoxyethyl)hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-5-6-11-19(14-16-26-4)17-28-23(25)21-13-8-7-12-20(21)22(24)27-15-9-10-18(2)3/h7-8,12-13,18-19H,5-6,9-11,14-17H2,1-4H3
InChIKey VWUJGHPVWCEVGV-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCC(C)C)=O)(CCCC)CCOC