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Phthalic acid, 2-phenoxyethyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-phenoxyethyl tridecyl ester
SpectraBase Compound ID 2FMoNXGKqgj
InChI InChI=1S/C29H40O5/c1-2-3-4-5-6-7-8-9-10-11-17-22-33-28(30)26-20-15-16-21-27(26)29(31)34-24-23-32-25-18-13-12-14-19-25/h12-16,18-21H,2-11,17,22-24H2,1H3
InChIKey MCYXQPXHORCQOQ-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7AIsZ40LQW
Name Phthalic acid, 2-phenoxyethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.287574383 u
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-2-3-4-5-6-7-8-9-10-11-17-22-33-28(30)26-20-15-16-21-27(26)29(31)34-24-23-32-25-18-13-12-14-19-25/h12-16,18-21H,2-11,17,22-24H2,1H3
InChIKey MCYXQPXHORCQOQ-UHFFFAOYSA-N
Molecular Weight 468.634 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCCOC1=CC=CC=C1)(OCCCCCCCCCCCCC)=O