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Phthalic acid, phenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, phenyl tridecyl ester
SpectraBase Compound ID 3qYscidIN1Q
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-9-10-11-17-22-30-26(28)24-20-15-16-21-25(24)27(29)31-23-18-13-12-14-19-23/h12-16,18-21H,2-11,17,22H2,1H3
InChIKey YJLHCLJXIHGFAP-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 1Qh2WwDKZoV
Name Phthalic acid, phenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-9-10-11-17-22-30-26(28)24-20-15-16-21-25(24)27(29)31-23-18-13-12-14-19-23/h12-16,18-21H,2-11,17,22H2,1H3
InChIKey YJLHCLJXIHGFAP-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1(=CC=CC=C1)OC(C1=C(C=CC=C1)C(=O)OCCCCCCCCCCCCC)=O