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ISATINECIC_ACID
SpectraBase Compound ID EEOW4dZOXy1
InChI InChI=1S/C10H16O6/c1-3-7(8(12)13)4-6(2)10(16,5-11)9(14)15/h3,6,11,16H,4-5H2,1-2H3,(H,12,13)(H,14,15)/b7-3-
InChIKey WGBRYLLSVMNVMD-CLTKARDFSA-N
Mol Weight 232.23 g/mol
Molecular Formula C10H16O6
Exact Mass 232.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OLnsBVxSJN
Name (5Z)-5-ethylidene-2-(hydroxymethyl)-3-methyl-2-oxidanyl-hexanedioic acid
CAS Registry Number 104010-80-2
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Formula C10H16O6
InChI InChI=1S/C10H16O6/c1-3-7(8(12)13)4-6(2)10(16,5-11)9(14)15/h3,6,11,16H,4-5H2,1-2H3,(H,12,13)(H,14,15)/b7-3-
InChIKey WGBRYLLSVMNVMD-CLTKARDFSA-N
Molecular Weight 232.232 g/mol
SMILES OC(C(CO)(C(C\C(C(=O)O)=C\C)C)O)=O
SPLASH splash10-001i-4900000000-6377678b20b34bbebf37
Source of Spectrum KC-1985-2716-2
Synonyms (5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methyl-hexanedioic acid (5Z)-5-ethylidene-2-hydroxy-3-methyl-2-methylol-adipic acid Retronecic acid
Wiley ID 1233338