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2,2-bis(2-ethylhexyl)decanedioic acid
SpectraBase Compound ID 1iLIQ3Ppy9F
InChI InChI=1S/C26H50O4/c1-5-9-16-22(7-3)20-26(25(29)30,21-23(8-4)17-10-6-2)19-15-13-11-12-14-18-24(27)28/h22-23H,5-21H2,1-4H3,(H,27,28)(H,29,30)
InChIKey BJZNEZSUNWJHQQ-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DshAvcfPWRq
Name 2,2-bis(2-ethylhexyl)decanedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-5-9-16-22(7-3)20-26(25(29)30,21-23(8-4)17-10-6-2)19-15-13-11-12-14-18-24(27)28/h22-23H,5-21H2,1-4H3,(H,27,28)(H,29,30)
InChIKey BJZNEZSUNWJHQQ-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES OC(CCCCCCCC(C(=O)O)(CC(CCCC)CC)CC(CCCC)CC)=O
SPLASH splash10-0abl-9400000000-6dc643404009cd49758a
Source of Spectrum BW-2001-0-271
Synonyms 2,2-bis(2-ethylhexyl)sebacic acid
Wiley ID 811318