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Phthalic acid, dodecyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 3-methylphenyl ester
SpectraBase Compound ID 20qdAjoK3Cs
InChI InChI=1S/C27H36O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h12-13,15-19,21H,3-11,14,20H2,1-2H3
InChIKey NDFCNQYTTHPMKR-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYdFFRWMsdz
Name Phthalic acid, dodecyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h12-13,15-19,21H,3-11,14,20H2,1-2H3
InChIKey NDFCNQYTTHPMKR-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES CCCCCCCCCCCCOC(C1=C(C(OC2=CC=CC(=C2)C)=O)C=CC=C1)=O