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Phthalic acid, 5-methoxy-3-methylpentyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 5-methoxy-3-methylpentyl octyl ester
SpectraBase Compound ID HzJKNV3ECNE
InChI InChI=1S/C23H36O5/c1-4-5-6-7-8-11-16-27-22(24)20-12-9-10-13-21(20)23(25)28-18-15-19(2)14-17-26-3/h9-10,12-13,19H,4-8,11,14-18H2,1-3H3
InChIKey IMEBUFHRTIHHBG-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 Dvxhwleki3U
Name Phthalic acid, 5-methoxy-3-methylpentyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-4-5-6-7-8-11-16-27-22(24)20-12-9-10-13-21(20)23(25)28-18-15-19(2)14-17-26-3/h9-10,12-13,19H,4-8,11,14-18H2,1-3H3
InChIKey IMEBUFHRTIHHBG-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCCCCCC)=O)C(CCOC)C