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Phthalic acid, 3,4-dimethylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dimethylphenyl undecyl ester
SpectraBase Compound ID DoFgzbryguS
InChI InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)24-15-12-13-16-25(24)27(29)31-23-18-17-21(2)22(3)20-23/h12-13,15-18,20H,4-11,14,19H2,1-3H3
InChIKey IJULGFGNEQPQNM-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 DNlxVXLkN46
Name Phthalic acid, 3,4-dimethylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)24-15-12-13-16-25(24)27(29)31-23-18-17-21(2)22(3)20-23/h12-13,15-18,20H,4-11,14,19H2,1-3H3
InChIKey IJULGFGNEQPQNM-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1(=CC=C(C(=C1)C)C)OC(C1=C(C(OCCCCCCCCCCC)=O)C=CC=C1)=O