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Phthalic acid, 3-methylbenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbenzyl tridecyl ester
SpectraBase Compound ID 2DLI5bNzrxT
InChI InChI=1S/C29H40O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-32-28(30)26-19-13-14-20-27(26)29(31)33-23-25-18-16-17-24(2)22-25/h13-14,16-20,22H,3-12,15,21,23H2,1-2H3
InChIKey IGKVGDUWNUIZSM-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 7coS2EeEww
Name Phthalic acid, 3-methylbenzyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-32-28(30)26-19-13-14-20-27(26)29(31)33-23-25-18-16-17-24(2)22-25/h13-14,16-20,22H,3-12,15,21,23H2,1-2H3
InChIKey IGKVGDUWNUIZSM-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OCC1=CC=CC(=C1)C)=O