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Phthalic acid, 2-acethylphenyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-acethylphenyl heptyl ester
SpectraBase Compound ID Lppv7oAGLLf
InChI InChI=1S/C23H26O5/c1-3-4-5-6-11-16-27-22(25)19-13-7-8-14-20(19)23(26)28-21-15-10-9-12-18(21)17(2)24/h7-10,12-15H,3-6,11,16H2,1-2H3
InChIKey OCDDSKYUWWNHCQ-UHFFFAOYSA-N
Mol Weight 382.46 g/mol
Molecular Formula C23H26O5
Exact Mass 382.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYANQrrKNIz
Name Phthalic acid, 2-acethylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.178023932 u
Formula C23H26O5
InChI InChI=1S/C23H26O5/c1-3-4-5-6-11-16-27-22(25)19-13-7-8-14-20(19)23(26)28-21-15-10-9-12-18(21)17(2)24/h7-10,12-15H,3-6,11,16H2,1-2H3
InChIKey OCDDSKYUWWNHCQ-UHFFFAOYSA-N
Molecular Weight 382.456 g/mol
SMILES CCCCCCCOC(C1=C(C=CC=C1)C(=O)OC1=CC=CC=C1C(=O)C)=O