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Phthalic acid, octyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 3-phenoxybenzyl ester
SpectraBase Compound ID I1Yw37kU6nZ
InChI InChI=1S/C29H32O5/c1-2-3-4-5-6-12-20-32-28(30)26-18-10-11-19-27(26)29(31)33-22-23-14-13-17-25(21-23)34-24-15-8-7-9-16-24/h7-11,13-19,21H,2-6,12,20,22H2,1H3
InChIKey KIOWZXIIYHIMSG-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C29H32O5
Exact Mass 460.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MpRbGbZLov
Name Phthalic acid, octyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.224974125 u
Formula C29H32O5
InChI InChI=1S/C29H32O5/c1-2-3-4-5-6-12-20-32-28(30)26-18-10-11-19-27(26)29(31)33-22-23-14-13-17-25(21-23)34-24-15-8-7-9-16-24/h7-11,13-19,21H,2-6,12,20,22H2,1H3
InChIKey KIOWZXIIYHIMSG-UHFFFAOYSA-N
Molecular Weight 460.570 g/mol
SMILES C1(=CC=CC=C1C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O)C(OCCCCCCCC)=O