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(E/Z)-4-(5-Cyanomethylene-7-oxabicyclo[4.1.0]hept-1-yl)butyric acid
SpectraBase Compound ID 4PiNcDvuHjF
InChI InChI=1S/C12H15NO3/c13-8-5-9-3-1-6-12(11(9)16-12)7-2-4-10(14)15/h5,11H,1-4,6-7H2,(H,14,15)/b9-5+
InChIKey PNPROIASGQIZEL-WEVVVXLNSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8dmGERkbyw
Name (E/Z)-4-(5-Cyanomethylene-7-oxabicyclo[4.1.0]hept-1-yl)butyric acid
Alternate Name(s) 4-[(5E)-5-(cyanomethylene)-7-oxabicyclo[4.1.0]hept-1-yl]butanoic acid 4-[(2E)-2-(cyanomethylene)-7-oxabicyclo[4.1.0]heptan-6-yl]butanoic acid 4-[(2E)-2-(cyanomethylidene)-7-oxabicyclo[4.1.0]heptan-6-yl]butanoic acid
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Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c13-8-5-9-3-1-6-12(11(9)16-12)7-2-4-10(14)15/h5,11H,1-4,6-7H2,(H,14,15)/b9-5+
InChIKey PNPROIASGQIZEL-WEVVVXLNSA-N
Molecular Weight 221.256 g/mol
SMILES OC(CCCC12OC1\C(=C\C#N)CCC2)=O
SPLASH splash10-06tb-9710000000-61454529e9250f826ed2
Source of Spectrum F2-43-1627-1
Wiley ID 1553132