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3,3-Dimethyl-2-oxo-7-oxabicyclo[4.1.0]heptane-1-carbonitrile
SpectraBase Compound ID GR1jjKFC2F
InChI InChI=1S/C9H11NO2/c1-8(2)4-3-6-9(5-10,12-6)7(8)11/h6H,3-4H2,1-2H3
InChIKey RGLHQLSBNYTICH-UHFFFAOYSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6550GOnhFFI
Name 3,3-Dimethyl-2-oxo-7-oxabicyclo[4.1.0]heptane-1-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C9H11NO2
InChI InChI=1S/C9H11NO2/c1-8(2)4-3-6-9(5-10,12-6)7(8)11/h6H,3-4H2,1-2H3
InChIKey RGLHQLSBNYTICH-UHFFFAOYSA-N
Molecular Weight 165.192 g/mol
SMILES C12(OC2CCC(C1=O)(C)C)C#N
SPLASH splash10-0a4i-9000000000-f9fb877f22494774dc4e
Source of Spectrum H-79-1434-9
Wiley ID 1161527