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Dioctyladipate
SpectraBase Compound ID 28RqcILBmiT
InChI InChI=1S/C22H42O4/c1-5-9-11-15-20(8-4)26-22(24)17-13-12-16-21(23)25-18-19(7-3)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey JSMPKTNFPRHWFO-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHhOeAoqqnI
Name Dioctyladipate
Classification Softener
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
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Exact Mass 370.308309828 u
Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-5-9-11-15-20(8-4)26-22(24)17-13-12-16-21(23)25-18-19(7-3)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey JSMPKTNFPRHWFO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 370.574 g/mol
Nominal Mass 370 u
Quality 997
Retention Index 2597
SMILES C(OC(CCCCC(OCC(CCCC)CC)=O)=O)(CCCCC)CC
SPLASH splash10-0729-8900000000-e3c3b0e995ac8f558927
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hexanedioic acid,bis(2-ethylhexyl) ester
Technique GC/MS
Wiley ID DD2024_001192