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Benzenehexanoic acid, 2,5-dihydroxy-4-methyl-.epsilon.-oxo-
SpectraBase Compound ID HQPKwKnVadZ
InChI InChI=1S/C13H16O5/c1-8-6-12(16)9(7-11(8)15)10(14)4-2-3-5-13(17)18/h6-7,15-16H,2-5H2,1H3,(H,17,18)
InChIKey NKEFCOBSUYLNED-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O8rTQ7IfKr
Name Benzenehexanoic acid, 2,5-dihydroxy-4-methyl-.epsilon.-oxo-
Alternate Name(s) 6-(2,5-dihydroxy-4-methylphenyl)-6-oxohexanoic acid 6-(2,5-dihydroxy-4-methyl-phenyl)-6-oxo-hexanoic acid 6-[4-methyl-2,5-bis(oxidanyl)phenyl]-6-oxidanylidene-hexanoic acid
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-8-6-12(16)9(7-11(8)15)10(14)4-2-3-5-13(17)18/h6-7,15-16H,2-5H2,1H3,(H,17,18)
InChIKey NKEFCOBSUYLNED-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES Oc1cc(c(cc1C(=O)CCCCC(O)=O)O)C
SPLASH splash10-0udi-4940000000-04c589396698c3386120
Source of Spectrum JX-2015-1-729
Wiley ID 1721519