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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-methoxy-3-methylpent-2-yl pentyl ester
SpectraBase Compound ID CbC0LTJTxTp
InChI InChI=1S/C20H30O5/c1-5-6-9-13-24-19(21)17-10-7-8-11-18(17)20(22)25-16(3)15(2)12-14-23-4/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3
InChIKey VZYPCDNTBWDWFR-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iPitGyLGi8
Name Phthalic acid, 5-methoxy-3-methylpent-2-yl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.209324061 u
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-5-6-9-13-24-19(21)17-10-7-8-11-18(17)20(22)25-16(3)15(2)12-14-23-4/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3
InChIKey VZYPCDNTBWDWFR-UHFFFAOYSA-N
Molecular Weight 350.455 g/mol
SMILES CCCCCOC(C1=C(C=CC=C1)C(OC(C(CCOC)C)C)=O)=O