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Phthalic acid, 2-methylbenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylbenzyl tridecyl ester
SpectraBase Compound ID IlCVQHN67tk
InChI InChI=1S/C29H40O4/c1-3-4-5-6-7-8-9-10-11-12-17-22-32-28(30)26-20-15-16-21-27(26)29(31)33-23-25-19-14-13-18-24(25)2/h13-16,18-21H,3-12,17,22-23H2,1-2H3
InChIKey MSEWIKZOPVOCSX-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdXyHYQc1Lm
Name Phthalic acid, 2-methylbenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-3-4-5-6-7-8-9-10-11-12-17-22-32-28(30)26-20-15-16-21-27(26)29(31)33-23-25-19-14-13-18-24(25)2/h13-16,18-21H,3-12,17,22-23H2,1-2H3
InChIKey MSEWIKZOPVOCSX-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCCCCCCC