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1,2-Benzenedicarboxylic acid, butyl 2-ethylhexyl ester
SpectraBase Compound ID LZTabxjjWSc
InChI InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
InChIKey AVOLBYOSCILFLL-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 3yI73qVK7S6
Name Butyl-2-ethylhexylphthalate @
CAS Registry Number 85-69-8
Classification Softener
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
InChIKey AVOLBYOSCILFLL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 334.456 g/mol
SMILES CCCCOC(c1c(C(OCC(CCCC)CC)=O)cccc1)=O
SPLASH splash10-0002-2900000000-0d0a2b3e947dfdca3b08
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 butyl-2-ethylhexyl ester
Technique GC/MS
Wiley ID MMPW6e_713