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Phthalic acid, 2-pentyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-pentyl 3-phenylpropyl ester
SpectraBase Compound ID K4yaAQDzLKB
InChI InChI=1S/C22H26O4/c1-3-10-17(2)26-22(24)20-15-8-7-14-19(20)21(23)25-16-9-13-18-11-5-4-6-12-18/h4-8,11-12,14-15,17H,3,9-10,13,16H2,1-2H3
InChIKey VVFOUXTXROYFOQ-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVWLwKb9eTB
Name Phthalic acid, 2-pentyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-3-10-17(2)26-22(24)20-15-8-7-14-19(20)21(23)25-16-9-13-18-11-5-4-6-12-18/h4-8,11-12,14-15,17H,3,9-10,13,16H2,1-2H3
InChIKey VVFOUXTXROYFOQ-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(OCCCC1=CC=CC=C1)(=O)C1=C(C=CC=C1)C(OC(CCC)C)=O