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Isophthalic acid, 2-ethylhexyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-ethylhexyl octyl ester
SpectraBase Compound ID 7GlH2MaJxts
InChI InChI=1S/C24H38O4/c1-4-7-9-10-11-12-17-27-23(25)21-15-13-16-22(18-21)24(26)28-19-20(6-3)14-8-5-2/h13,15-16,18,20H,4-12,14,17,19H2,1-3H3
InChIKey FUSDCLZRPSXYCT-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fqqXGZH4AO
Name Isophthalic acid, 2-ethylhexyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-4-7-9-10-11-12-17-27-23(25)21-15-13-16-22(18-21)24(26)28-19-20(6-3)14-8-5-2/h13,15-16,18,20H,4-12,14,17,19H2,1-3H3
InChIKey FUSDCLZRPSXYCT-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES CCCCCCCCOC(C=1C=C(C(OCC(CCCC)CC)=O)C=CC1)=O