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Diisooctyl phthalate

View entire compound with spectra: 1 NMR, 4 FTIR, 1 Raman, 11 MS (GC), and 1 MS (LC)

Diisooctyl phthalate
SpectraBase Compound ID IDk7j3MEo6A
InChI InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
InChIKey IJFPVINAQGWBRJ-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2mD9RK33KRu
Name Diisooctyl phthalate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
InChIKey IJFPVINAQGWBRJ-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C=1C(=C(C=CC1)C(OCCCCCC(C)C)=O)C(OCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.975328