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Monoisooctyladipate
SpectraBase Compound ID 6cTjASKsT1w
InChI InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)
InChIKey MBGYSHXGENGTBP-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7T8SjEULjXG
Name 1,3-Butane diol dipivalate
Classification Chemical
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Exact Mass 258.183109313 u
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)
InChIKey MBGYSHXGENGTBP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 258.358 g/mol
Related CAS Registry Number(s) 107-88-0
SMILES CCC(COC(CCCCC(O)=O)=O)CCCC
SPLASH splash10-0a4i-9200000000-4390c454efab0fe97351
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
Technique GC/MS
Wiley ID MMPW6e_6424