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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LB6EhzPwSK
Name Diisooctylphthalate @
CAS Registry Number 27554-26-3
Classification Softener
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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
Ionization Type Electron Ionization (EI)
Molecular Weight 390.564 g/mol
SMILES c1c(C(OCCCCCC(C)C)=O)c(ccc1)C(OCCCCCC(C)C)=O
SPLASH splash10-0002-5900000000-216fc488708837a526d8
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Phthalic acid diisooctyl ester
Technique GC/MS
Wiley ID MMPW6e_723