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Phthalic acid, 2-propylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-propylphenyl undecyl ester
SpectraBase Compound ID 7D7ZDvWmAv8
InChI InChI=1S/C28H38O4/c1-3-5-6-7-8-9-10-11-16-22-31-27(29)24-19-13-14-20-25(24)28(30)32-26-21-15-12-18-23(26)17-4-2/h12-15,18-21H,3-11,16-17,22H2,1-2H3
InChIKey ITKJYIDIOYUQOI-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22Xq7ttFMne
Name Phthalic acid, 2-propylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-3-5-6-7-8-9-10-11-16-22-31-27(29)24-19-13-14-20-25(24)28(30)32-26-21-15-12-18-23(26)17-4-2/h12-15,18-21H,3-11,16-17,22H2,1-2H3
InChIKey ITKJYIDIOYUQOI-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O