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Dioctylphthalate
SpectraBase Compound ID 1FOvyJn2i1i
InChI InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey MQIUGAXCHLFZKX-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 3CJLTusVpg
Name Dioctylphthalate @
CAS Registry Number 117-84-0
Classification Softener
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey MQIUGAXCHLFZKX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 390.564 g/mol
SMILES c1cc(C(OCCCCCCCC)=O)c(C(OCCCCCCCC)=O)cc1
SPLASH splash10-0002-2910000000-b65e892a4553061336c9
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 dioctyl ester
Technique GC/MS
Wiley ID MMPW6e_6401