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Diisononyl phthalate
SpectraBase Compound ID A1W3lg1exvs
InChI InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChIKey HBGGXOJOCNVPFY-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsHfCgUtFuJ
Name Diisononylphthalate @
CAS Registry Number 28553-12-0
Classification Softener
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChIKey HBGGXOJOCNVPFY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 418.618 g/mol
SMILES c1cc(C(OCCCCCCC(C)C)=O)c(C(=O)OCCCCCCC(C)C)cc1
SPLASH splash10-0002-6910000000-8739541e812be8cceac4
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 diisononyl ester
Technique GC/MS
Wiley ID MMPW6e_1232