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Phthalic acid, 3-methylbenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbenzyl tetradecyl ester
SpectraBase Compound ID LcNdtORLvj2
InChI InChI=1S/C30H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-33-29(31)27-20-14-15-21-28(27)30(32)34-24-26-19-17-18-25(2)23-26/h14-15,17-21,23H,3-13,16,22,24H2,1-2H3
InChIKey XCMBFRFQERDABO-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QHn5AiY8ty
Name Phthalic acid, 3-methylbenzyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.308309828 u
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-33-29(31)27-20-14-15-21-28(27)30(32)34-24-26-19-17-18-25(2)23-26/h14-15,17-21,23H,3-13,16,22,24H2,1-2H3
InChIKey XCMBFRFQERDABO-UHFFFAOYSA-N
Molecular Weight 466.662 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCC)=O)C(OCC1=CC=CC(=C1)C)=O