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(4R,5R)-2-(6-chloranylpyridin-3-yl)-4,5-bis(oxidanyl)cyclohexan-1-one
SpectraBase Compound ID EmhxSfMirFA
InChI InChI=1S/C11H12ClNO3/c12-11-2-1-6(5-13-11)7-3-9(15)10(16)4-8(7)14/h1-2,5,7,9-10,15-16H,3-4H2/t7?,9-,10-/m1/s1
InChIKey DOMCQSCXJOXDAR-RWBYNWAKSA-N
Mol Weight 241.67 g/mol
Molecular Formula C11H12ClNO3
Exact Mass 241.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tpGKIfCiAt
Name (4R,5R)-2-(6-chloranylpyridin-3-yl)-4,5-bis(oxidanyl)cyclohexan-1-one
Alternate Name(s) (4R,5R)-2-(6-chloro-3-pyridinyl)-4,5-dihydroxy-1-cyclohexanone (4R,5R)-2-(6-chloro-3-pyridyl)-4,5-dihydroxy-cyclohexanone (4R,5R)-2-(6-chloropyridin-3-yl)-4,5-dihydroxycyclohexan-1-one
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Formula C11H12ClNO3
InChI InChI=1S/C11H12ClNO3/c12-11-2-1-6(5-13-11)7-3-9(15)10(16)4-8(7)14/h1-2,5,7,9-10,15-16H,3-4H2/t7?,9-,10-/m1/s1
InChIKey DOMCQSCXJOXDAR-RWBYNWAKSA-N
Molecular Weight 241.674 g/mol
SMILES O[C@]1([C@@](CC(C(C1)=O)c1cnc(cc1)Cl)(O)[H])[H]
SPLASH splash10-0006-1920000000-04d1a7cba1590913404f
Source of Spectrum K-2001-171-10
Wiley ID 1578368