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Phthalic acid, decyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 3-phenylpropyl ester
SpectraBase Compound ID 3DxT9z2dJXq
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-14-21-30-26(28)24-19-12-13-20-25(24)27(29)31-22-15-18-23-16-10-9-11-17-23/h9-13,16-17,19-20H,2-8,14-15,18,21-22H2,1H3
InChIKey DIDXDXWNZCIHGA-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yzz76b9Zyx
Name Phthalic acid, decyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-14-21-30-26(28)24-19-12-13-20-25(24)27(29)31-22-15-18-23-16-10-9-11-17-23/h9-13,16-17,19-20H,2-8,14-15,18,21-22H2,1H3
InChIKey DIDXDXWNZCIHGA-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES CCCCCCCCCCOC(C1=CC=CC=C1C(OCCCC1=CC=CC=C1)=O)=O