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Phthalic acid, dodecyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 1Z6mneB2nmz
InChI InChI=1S/C29H40O5/c1-4-5-6-7-8-9-10-11-12-17-22-32-28(30)24-18-13-14-19-25(24)29(31)34-27-21-16-15-20-26(27)33-23(2)3/h13-16,18-21,23H,4-12,17,22H2,1-3H3
InChIKey LSLSSWIWUCOCPI-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IHC01DHP3v
Name Phthalic acid, dodecyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.287574383 u
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-4-5-6-7-8-9-10-11-12-17-22-32-28(30)24-18-13-14-19-25(24)29(31)34-27-21-16-15-20-26(27)33-23(2)3/h13-16,18-21,23H,4-12,17,22H2,1-3H3
InChIKey LSLSSWIWUCOCPI-UHFFFAOYSA-N
Molecular Weight 468.634 g/mol
SMILES C(C1=C(C(OCCCCCCCCCCCC)=O)C=CC=C1)(OC1=C(C=CC=C1)OC(C)C)=O