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Isophthalic acid, 2-isopropoxyphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-isopropoxyphenyl dodecyl ester
SpectraBase Compound ID H1MUZvQlYDD
InChI InChI=1S/C29H40O5/c1-4-5-6-7-8-9-10-11-12-15-21-32-28(30)24-17-16-18-25(22-24)29(31)34-27-20-14-13-19-26(27)33-23(2)3/h13-14,16-20,22-23H,4-12,15,21H2,1-3H3
InChIKey CPRMJROBVIARDO-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 DVylZlDBqoY
Name Isophthalic acid, 2-isopropoxyphenyl dodecyl 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/c1-4-5-6-7-8-9-10-11-12-15-21-32-28(30)24-17-16-18-25(22-24)29(31)34-27-20-14-13-19-26(27)33-23(2)3/h13-14,16-20,22-23H,4-12,15,21H2,1-3H3
InChIKey CPRMJROBVIARDO-UHFFFAOYSA-N
Molecular Weight 468.634 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCCCCCCC)=O)=O)=C(C=C1)OC(C)C