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Adipic acid di(2-ethylhexyl) ester
SpectraBase Compound ID 69M7Jja0qy1
InChI InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey SAOKZLXYCUGLFA-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 EeOSPptZZ7F
Name Bis(2-ethylhexyl) adipate
Source of Sample SAFC Cat.no. W519006
CAS Registry Number 103-23-1
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 370.308309828 u
Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey SAOKZLXYCUGLFA-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
Number of Peaks 50
RI1 2392
RI2 2068
RI3 2190
RI4 2158
SMILES CCC(COC(CCCCC(OCC(CCCC)CC)=O)=O)CCCC
SPLASH splash10-0729-9700000000-b6c963389db9821c2d96
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester
Wiley ID LM_FFNSC3_2005