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1,2-Benzenedicarboxylic acid, butyl 2-methylpropyl ester
SpectraBase Compound ID 6NktiHTvW3S
InChI InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey UVIVWIFUPKGWGF-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9E52T02NmJ
Name Butyl-2-methylpropylphthalate @
CAS Registry Number 17851-53-5
Classification Softener
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Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey UVIVWIFUPKGWGF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 278.348 g/mol
SMILES CCCCOC(c1c(C(OCC(C)C)=O)cccc1)=O
SPLASH splash10-0002-2900000000-12158e2ef916d1c42744
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-methylpropyl ester
Technique GC/MS
Wiley ID MMPW6e_2995