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1,3-Benzodioxole, 5-(3-hydroxy-2-nitro-5-oxocyclohexyl)-

View entire compound with spectra: 2 MS (GC)

1,3-Benzodioxole, 5-(3-hydroxy-2-nitro-5-oxocyclohexyl)-
SpectraBase Compound ID F0gCq1w3aKn
InChI InChI=1S/C13H13NO6/c15-8-4-9(13(14(17)18)10(16)5-8)7-1-2-11-12(3-7)20-6-19-11/h1-3,9-10,13,16H,4-6H2
InChIKey PEMZDALSLABYBL-UHFFFAOYSA-N
Mol Weight 279.25 g/mol
Molecular Formula C13H13NO6
Exact Mass 279.074287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1yREsBL8Eq
Name 1,3-Benzodioxole, 5-(3-hydroxy-2-nitro-5-oxocyclohexyl)-
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)-4-nitro-5-oxidanyl-cyclohexan-1-one 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-nitro-1-cyclohexanone 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-nitro-cyclohexanone 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-nitrocyclohexan-1-one
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Formula C13H13NO6
InChI InChI=1S/C13H13NO6/c15-8-4-9(13(14(17)18)10(16)5-8)7-1-2-11-12(3-7)20-6-19-11/h1-3,9-10,13,16H,4-6H2
InChIKey PEMZDALSLABYBL-UHFFFAOYSA-N
Molecular Weight 279.248 g/mol
SMILES OC1CC(CC(c2ccc3c(c2)OCO3)C1N(=O)=O)=O
SPLASH splash10-005a-6950000000-edc36ad114de60c81d36
Wiley ID 1477827