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Phthalic acid, dodecyl 2-methylallyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-methylallyl ester
SpectraBase Compound ID 3378CcsEOMb
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(2)3/h13-14,16-17H,2,4-12,15,18-19H2,1,3H3
InChIKey QCUUAEJKOLVKOI-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFrxwuFauJe
Name Phthalic acid, dodecyl 2-methylallyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(2)3/h13-14,16-17H,2,4-12,15,18-19H2,1,3H3
InChIKey QCUUAEJKOLVKOI-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C(CCCCOC(C1=C(C=CC=C1)C(=O)OCC(C)=C)=O)CCCCCCC