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Phthalic acid, pentyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, pentyl 3-phenylpropyl ester
SpectraBase Compound ID 7mMJfDbOVP5
InChI InChI=1S/C22H26O4/c1-2-3-9-16-25-21(23)19-14-7-8-15-20(19)22(24)26-17-10-13-18-11-5-4-6-12-18/h4-8,11-12,14-15H,2-3,9-10,13,16-17H2,1H3
InChIKey ZENGEECFTMABFK-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 3E6Cul1a5tE
Name Phthalic acid, pentyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-2-3-9-16-25-21(23)19-14-7-8-15-20(19)22(24)26-17-10-13-18-11-5-4-6-12-18/h4-8,11-12,14-15H,2-3,9-10,13,16-17H2,1H3
InChIKey ZENGEECFTMABFK-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES CCCCCOC(C1=C(C(OCCCC=2C=CC=CC2)=O)C=CC=C1)=O