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Hexyloctylphthalate           @
SpectraBase Compound ID 9fjbU7VM5W8
InChI InChI=1S/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChIKey LZCTXAGBGKLUBX-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5H2xWDsYad8
Name Hexyloctylphthalate @
Classification Softener
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Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChIKey LZCTXAGBGKLUBX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 362.510 g/mol
SMILES c1ccc(C(OCCCCCC)=O)c(C(=O)OCCCCCCCC)c1
SPLASH splash10-0002-3910000000-8fc3b320a7a775b448c0
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 hexyloctyl ester
Technique GC/MS
Wiley ID MMPW6e_6053