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2-[4-(2,2-dicarboxyethyl)-2,3,5,6-tetramethylbenzyl]malonic acid
SpectraBase Compound ID KnzchOOtR5A
InChI InChI=1S/C18H22O8/c1-7-8(2)12(6-14(17(23)24)18(25)26)10(4)9(3)11(7)5-13(15(19)20)16(21)22/h13-14H,5-6H2,1-4H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey GMZCSCXYCCQWHQ-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C18H22O8
Exact Mass 366.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bXo9Wh4RWw
Name 2-[4-(2,2-dicarboxyethyl)-2,3,5,6-tetramethylbenzyl]malonic acid
Alternate Name(s) 2-[[4-(2,2-dicarboxyethyl)-2,3,5,6-tetramethylphenyl]methyl]propanedioic acid 2-[[4-(2,2-dicarboxyethyl)-2,3,5,6-tetramethyl-phenyl]methyl]propanedioic acid 2-[[4-(2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)-2,3,5,6-tetramethyl-phenyl]methyl]propanedioic acid
CAS Registry Number 94265-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O8
InChI InChI=1S/C18H22O8/c1-7-8(2)12(6-14(17(23)24)18(25)26)10(4)9(3)11(7)5-13(15(19)20)16(21)22/h13-14H,5-6H2,1-4H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey GMZCSCXYCCQWHQ-UHFFFAOYSA-N
Molecular Weight 366.366 g/mol
SMILES OC(C(Cc1c(c(c(CC(C(=O)O)C(=O)O)c(c1C)C)C)C)C(=O)O)=O
SPLASH splash10-0690-0090000000-5bcb95f825831753af9e
Source of Spectrum I-66-2067-3
Wiley ID 1351809