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Phthalic acid, heptyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 3-phenylpropyl ester
SpectraBase Compound ID LTNf1W3rWO7
InChI InChI=1S/C24H30O4/c1-2-3-4-5-11-18-27-23(25)21-16-9-10-17-22(21)24(26)28-19-12-15-20-13-7-6-8-14-20/h6-10,13-14,16-17H,2-5,11-12,15,18-19H2,1H3
InChIKey CFAPRAVCMKQPMX-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID an9CCcyy1Q
Name Phthalic acid, heptyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-2-3-4-5-11-18-27-23(25)21-16-9-10-17-22(21)24(26)28-19-12-15-20-13-7-6-8-14-20/h6-10,13-14,16-17H,2-5,11-12,15,18-19H2,1H3
InChIKey CFAPRAVCMKQPMX-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES CCCCCCCOC(C1=CC=CC=C1C(OCCCC1=CC=CC=C1)=O)=O