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Propanedioic acid, 2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)di-3,1-propanediyl]bis-
SpectraBase Compound ID CteSHWugaUO
InChI InChI=1S/C22H30O8/c1-11-12(2)16(8-6-10-18(21(27)28)22(29)30)14(4)13(3)15(11)7-5-9-17(19(23)24)20(25)26/h17-18H,5-10H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKey FBMDYXHKOWDJAD-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdHvz0plSwP
Name Propanedioic acid, 2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)di-3,1-propanediyl]bis-
CAS Registry Number 118214-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-11-12(2)16(8-6-10-18(21(27)28)22(29)30)14(4)13(3)15(11)7-5-9-17(19(23)24)20(25)26/h17-18H,5-10H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKey FBMDYXHKOWDJAD-UHFFFAOYSA-N
Molecular Weight 422.474 g/mol
SMILES OC(C(CCCc1c(c(c(CCCC(C(=O)O)C(=O)O)c(c1C)C)C)C)C(=O)O)=O
SPLASH splash10-0002-0691000000-94f181be04bc88e825e6
Source of Spectrum I-66-2068-12
Synonyms 1,4-bis(4,4-dicarboxybutyl)-2,3,5,6-tetramethylbenzene 2-{3-[4-(4,4-dicarboxybutyl)-2,3,5,6-tetramethylphenyl]propyl}malonic acid
Wiley ID 1378566