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2-Methyl-4,5,6-tris(oxidanyl)cyclohex-2-en-1-one
SpectraBase Compound ID GUPhkEoLk3p
InChI InChI=1S/C7H10O4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,4,6-8,10-11H,1H3/t4-,6-,7-/m1/s1
InChIKey YNPFEYUTCGDFDD-QPPQHZFASA-N
Mol Weight 158.15 g/mol
Molecular Formula C7H10O4
Exact Mass 158.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O78iTBzRA
Name 2-Methyl-4,5,6-tris(oxidanyl)cyclohex-2-en-1-one
Alternate Name(s) 4,5,6-trihydroxy-2-methyl-1-cyclohex-2-enone 4,5,6-trihydroxy-2-methyl-cyclohex-2-en-1-one (4R,5R,6S)-4,5,6-trihydroxy-2-methyl-1-cyclohex-2-enone (4R,5R,6S)-4,5,6-trihydroxy-2-methylcyclohex-2-en-1-one (4R,5R,6S)-2-methyl-4,5,6-tris(oxidanyl)cyclohex-2-en-1-one
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Formula C7H10O4
InChI InChI=1S/C7H10O4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,4,6-8,10-11H,1H3/t4-,6-,7-/m1/s1
InChIKey YNPFEYUTCGDFDD-QPPQHZFASA-N
Molecular Weight 158.153 g/mol
SMILES O[C@@]1([C@@](C=C(C([C@]1(O)[H])=O)C)(O)[H])[H]
SPLASH splash10-01vk-9300000000-1977b50bcccf0d7ba407
Source of Spectrum U-1993-247-1
Wiley ID 764710