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exo-2-Cyano-5-(ethylidenedioxy)bicyclo[2.2.1]heptane isomer
SpectraBase Compound ID 63DNRzVGOUy
InChI InChI=1S/C10H13NO2/c11-6-8-4-9-3-7(8)5-10(9)12-1-2-13-10/h7-9H,1-5H2/t7-,8-,9-/m1/s1
InChIKey AGFWPSDWDKTBJM-IWSPIJDZSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DrPGVRdVA
Name exo-2-Cyano-5-(ethylidenedioxy)bicyclo[2.2.1]heptane isomer
Alternate Name(s) endo-2-Cyano-5-(ethylidenedioxy)bicyclo[2.2.1]heptane Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-5-carbonitrile 5'-spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]carbonitrile Spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-5'-carbonitrile
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Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c11-6-8-4-9-3-7(8)5-10(9)12-1-2-13-10/h7-9H,1-5H2/t7-,8-,9-/m1/s1
InChIKey AGFWPSDWDKTBJM-IWSPIJDZSA-N
Molecular Weight 179.219 g/mol
SMILES C12([C@@]3(C[C@](C2)([C@@](C#N)(C3)[H])[H])[H])OCCO1
SPLASH splash10-002r-8900000000-33b369ba561bc85a6e4b
Source of Spectrum J-58-5205-22
Wiley ID 1175317