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Phthalic acid, decyl 1-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 1-phenylpropyl ester
SpectraBase Compound ID Ha7SZlBJ24U
InChI InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-16-21-30-26(28)23-19-14-15-20-24(23)27(29)31-25(4-2)22-17-12-11-13-18-22/h11-15,17-20,25H,3-10,16,21H2,1-2H3
InChIKey KDPNGBRKIMARNL-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 IGnc0lpNKWW
Name Phthalic acid, decyl 1-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-16-21-30-26(28)23-19-14-15-20-24(23)27(29)31-25(4-2)22-17-12-11-13-18-22/h11-15,17-20,25H,3-10,16,21H2,1-2H3
InChIKey KDPNGBRKIMARNL-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C(OC(CC)C1=CC=CC=C1)(=O)C1=C(C=CC=C1)C(OCCCCCCCCCC)=O