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Butyl octyl phthalate
SpectraBase Compound ID 8oF9YneRXad
InChI InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3
InChIKey MURWRBWZIMXKGC-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 5FxRIOB1Pmg
Name Butyloctylphthalate @
CAS Registry Number 84-78-6
Classification Softener
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3
InChIKey MURWRBWZIMXKGC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 334.456 g/mol
SMILES c1cc(c(cc1)C(OCCCCCCCC)=O)C(OCCCC)=O
SPLASH splash10-0002-3900000000-26c6fea542cc5bb8d135
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 butyloctyl ester
Technique GC/MS
Wiley ID MMPW6e_2361