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Benzenehexanoic acid, 2,5-dihydroxy-4-methyl-
SpectraBase Compound ID L4XIuj1QVSJ
InChI InChI=1S/C13H18O4/c1-9-7-12(15)10(8-11(9)14)5-3-2-4-6-13(16)17/h7-8,14-15H,2-6H2,1H3,(H,16,17)
InChIKey NKIUNOOZXSAAMO-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mVdQAeXplA
Name Benzenehexanoic acid, 2,5-dihydroxy-4-methyl-
Alternate Name(s) 6-(2,5-Dihydroxy-4-methylphenyl)hexanoic acid 6-[4-Methyl-2,5-bis(oxidanyl)phenyl]hexanoic acid
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-9-7-12(15)10(8-11(9)14)5-3-2-4-6-13(16)17/h7-8,14-15H,2-6H2,1H3,(H,16,17)
InChIKey NKIUNOOZXSAAMO-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES Oc1cc(c(cc1CCCCCC(O)=O)O)C
SPLASH splash10-0080-5950000000-6cb8ac2afae2f9f461a8
Source of Spectrum JX-2015-1-171
Wiley ID 1721024