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Isophthalic acid, hexyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, hexyl 2-isopropoxyphenyl ester
SpectraBase Compound ID GUbhos8zy99
InChI InChI=1S/C23H28O5/c1-4-5-6-9-15-26-22(24)18-11-10-12-19(16-18)23(25)28-21-14-8-7-13-20(21)27-17(2)3/h7-8,10-14,16-17H,4-6,9,15H2,1-3H3
InChIKey CVIDLRAMFVCQQE-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KZwLerzmYt
Name Isophthalic acid, hexyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-4-5-6-9-15-26-22(24)18-11-10-12-19(16-18)23(25)28-21-14-8-7-13-20(21)27-17(2)3/h7-8,10-14,16-17H,4-6,9,15H2,1-3H3
InChIKey CVIDLRAMFVCQQE-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCC)=O)=O)=C(C=C1)OC(C)C