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2-(1,3-Benzodioxol-5-yl)-1-nitrocyclohexane
SpectraBase Compound ID 9GETkrdjRvH
InChI InChI=1S/C13H15NO4/c15-14(16)11-4-2-1-3-10(11)9-5-6-12-13(7-9)18-8-17-12/h5-7,10-11H,1-4,8H2
InChIKey YPAQSCZUNVTBPZ-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFaRrXUsLyC
Name 2-(1,3-Benzodioxol-5-yl)-1-nitrocyclohexane
Alternate Name(s) 5-(2-nitrocyclohexyl)-1,3-benzodioxole
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Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c15-14(16)11-4-2-1-3-10(11)9-5-6-12-13(7-9)18-8-17-12/h5-7,10-11H,1-4,8H2
InChIKey YPAQSCZUNVTBPZ-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES C1(N(=O)=O)C(c2cc3OCOc3cc2)CCCC1
SPLASH splash10-000i-3940000000-69ae58fb87068cb236a3
Source of Spectrum SO-0-846-3
Wiley ID 863907