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Phthalic acid, hexadecyl 3-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexadecyl 3-methoxybenzyl ester
SpectraBase Compound ID GbvCsuf4BlZ
InChI InChI=1S/C32H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-36-31(33)29-22-16-17-23-30(29)32(34)37-26-27-20-19-21-28(25-27)35-2/h16-17,19-23,25H,3-15,18,24,26H2,1-2H3
InChIKey LQIJQAIFTQHRPS-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C32H46O5
Exact Mass 510.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dvaf6dNqthA
Name Phthalic acid, hexadecyl 3-methoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.334524576 u
Formula C32H46O5
InChI InChI=1S/C32H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-36-31(33)29-22-16-17-23-30(29)32(34)37-26-27-20-19-21-28(25-27)35-2/h16-17,19-23,25H,3-15,18,24,26H2,1-2H3
InChIKey LQIJQAIFTQHRPS-UHFFFAOYSA-N
Molecular Weight 510.715 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCCCCCCCCCC)=O