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Isophthalic acid, 2,5-dimethylphenyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,5-dimethylphenyl octyl ester
SpectraBase Compound ID EsZDaDZ4Zfj
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-9-15-27-23(25)20-11-10-12-21(17-20)24(26)28-22-16-18(2)13-14-19(22)3/h10-14,16-17H,4-9,15H2,1-3H3
InChIKey CMCCZLGSUADAFX-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GjgNMY8jkG
Name Isophthalic acid, 2,5-dimethylphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-9-15-27-23(25)20-11-10-12-21(17-20)24(26)28-22-16-18(2)13-14-19(22)3/h10-14,16-17H,4-9,15H2,1-3H3
InChIKey CMCCZLGSUADAFX-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES CC1=C(C=C(C=C1)C)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O