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11-Nitro-Atholactone
SpectraBase Compound ID DcMHvjvsmvc
InChI InChI=1S/C13H11NO6/c15-10-6-5-9-13(20-10)11(16)12(19-9)7-1-3-8(4-2-7)14(17)18/h1-6,9,11-13,16H/t9-,11+,12+,13+/m0/s1
InChIKey BGZWJEQBQOQIAV-WKSBVSIWSA-N
Mol Weight 277.23 g/mol
Molecular Formula C13H11NO6
Exact Mass 277.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiGVtYvOUHs
Name 11-Nitro-Atholactone
Alternate Name(s) (2R,3R,3aS,7aS)-2-(4-nitrophenyl)-3-oxidanyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one
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Formula C13H11NO6
InChI InChI=1S/C13H11NO6/c15-10-6-5-9-13(20-10)11(16)12(19-9)7-1-3-8(4-2-7)14(17)18/h1-6,9,11-13,16H/t9-,11+,12+,13+/m0/s1
InChIKey BGZWJEQBQOQIAV-WKSBVSIWSA-N
Molecular Weight 277.232 g/mol
SMILES O[C@]1([C@]2([C@@](O[C@@]1(c1ccc(N(=O)=O)cc1)[H])(C=CC(O2)=O)[H])[H])[H]
SPLASH splash10-0002-9130000000-b2181336973458d02ae1
Source of Spectrum G4-62-1108-8
Wiley ID 1608005