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Phthalic acid, didecyl ester
SpectraBase Compound ID 42w8yfnT2fr
InChI InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey PGIBJVOPLXHHGS-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOcPXZ87aqD
Name Diisodecylphthalate @
CAS Registry Number 26761-40-0
Classification Softener
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey PGIBJVOPLXHHGS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 446.672 g/mol
SMILES c1cc(c(C(=O)OCCCCCCCCCC)cc1)C(OCCCCCCCCCC)=O
SPLASH splash10-0002-2902000000-5e852029670681b22f6a
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 diisodecyl ester
Technique GC/MS
Wiley ID MMPW6e_3541