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Phthalic acid, 5-methoxy-3-methylpent-2-yl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 5-methoxy-3-methylpent-2-yl octyl ester
SpectraBase Compound ID EQjCO3tk3Vc
InChI InChI=1S/C23H36O5/c1-5-6-7-8-9-12-16-27-22(24)20-13-10-11-14-21(20)23(25)28-19(3)18(2)15-17-26-4/h10-11,13-14,18-19H,5-9,12,15-17H2,1-4H3
InChIKey PJFYYQRRBKAURO-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 KuCiWTLYDlZ
Name Phthalic acid, 5-methoxy-3-methylpent-2-yl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-5-6-7-8-9-12-16-27-22(24)20-13-10-11-14-21(20)23(25)28-19(3)18(2)15-17-26-4/h10-11,13-14,18-19H,5-9,12,15-17H2,1-4H3
InChIKey PJFYYQRRBKAURO-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C(CCOC)C)C)=O)(OCCCCCCCC)=O