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Phthalic acid, dihexyl ester
SpectraBase Compound ID 88IasZaw5Ed
InChI InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKey KCXZNSGUUQJJTR-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID At8KgSCn9WZ
Name Diisohexylphthalate @
CAS Registry Number 146-50-9
Classification Softener
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKey KCXZNSGUUQJJTR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 334.456 g/mol
SMILES c1cc(C(OCCCCCC)=O)c(C(OCCCCCC)=O)cc1
SPLASH splash10-0002-1910000000-0571f037a15309eb1c73
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 diisohexyl ester
Technique GC/MS
Wiley ID MMPW6e_6397