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Bis(3,5,5-trimethylhexyl) adipate
SpectraBase Compound ID 5FH478pXsEG
InChI InChI=1S/C24H46O4/c1-19(17-23(3,4)5)13-15-27-21(25)11-9-10-12-22(26)28-16-14-20(2)18-24(6,7)8/h19-20H,9-18H2,1-8H3
InChIKey ISQGOXKDLGVOKQ-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C24H46O4
Exact Mass 398.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pzMyThNv7d
Name Bis(3,5,5-trimethylhexyl) adipate
Alternate Name(s) Hexanedioic acid bis(3,5,5-trimethylhexyl) ester Bis(3,5,5-trimethylhexyl) hexanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H46O4
InChI InChI=1S/C24H46O4/c1-19(17-23(3,4)5)13-15-27-21(25)11-9-10-12-22(26)28-16-14-20(2)18-24(6,7)8/h19-20H,9-18H2,1-8H3
InChIKey ISQGOXKDLGVOKQ-UHFFFAOYSA-N
Molecular Weight 398.628 g/mol
SMILES C(CCCCC(=O)OCCC(CC(C)(C)C)C)(=O)OCCC(CC(C)(C)C)C
SPLASH splash10-0a4i-9000000000-c9f1d1d6a83c5ccf4f0d
Source of Spectrum JX-2015-6-3049
Wiley ID 1728467