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Phthalic acid, 6-ethyl-3-octyl hexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 6-ethyl-3-octyl hexyl ester
SpectraBase Compound ID A7Pr2LQDJX5
InChI InChI=1S/C24H38O4/c1-5-9-10-13-18-27-23(25)21-14-11-12-15-22(21)24(26)28-20(8-4)17-16-19(6-2)7-3/h11-12,14-15,19-20H,5-10,13,16-18H2,1-4H3
InChIKey FPXDUAUHOWGQBT-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 7G83lzJDH13
Name Phthalic acid, 6-ethyl-3-octyl hexyl 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/c1-5-9-10-13-18-27-23(25)21-14-11-12-15-22(21)24(26)28-20(8-4)17-16-19(6-2)7-3/h11-12,14-15,19-20H,5-10,13,16-18H2,1-4H3
InChIKey FPXDUAUHOWGQBT-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)CCC(CC)CC)=O)C(=O)OCCCCCC