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Phthalic acid, 3,4-dichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dichlorophenyl undecyl ester
SpectraBase Compound ID 3r1Q6QSbMFN
InChI InChI=1S/C25H30Cl2O4/c1-2-3-4-5-6-7-8-9-12-17-30-24(28)20-13-10-11-14-21(20)25(29)31-19-15-16-22(26)23(27)18-19/h10-11,13-16,18H,2-9,12,17H2,1H3
InChIKey OFHSIAYYZAXEIQ-UHFFFAOYSA-N
Mol Weight 465.42 g/mol
Molecular Formula C25H30Cl2O4
Exact Mass 464.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3g6qsAAVYJV
Name Phthalic acid, 3,4-dichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.152114842 u
Formula C25H30Cl2O4
InChI InChI=1S/C25H30Cl2O4/c1-2-3-4-5-6-7-8-9-12-17-30-24(28)20-13-10-11-14-21(20)25(29)31-19-15-16-22(26)23(27)18-19/h10-11,13-16,18H,2-9,12,17H2,1H3
InChIKey OFHSIAYYZAXEIQ-UHFFFAOYSA-N
Molecular Weight 465.417 g/mol
SMILES CCCCCCCCCCCOC(C1=CC=CC=C1C(OC1=CC=C(C(=C1)Cl)Cl)=O)=O