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[2]Staffane-3-carboxylic acid
SpectraBase Compound ID KM64nFE25Fs
InChI InChI=1S/C11H14O2/c12-8(13)9-4-11(5-9,6-9)10-1-7(2-10)3-10/h7H,1-6H2,(H,12,13)
InChIKey GXIBQNSFUUGCNQ-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g7eyVCObQ
Name [2]Staffane-3-carboxylic acid
Alternate Name(s) 3-{bicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentane-1-carboxylic acid
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Formula C11H14O2
InChI InChI=1S/C11H14O2/c12-8(13)9-4-11(5-9,6-9)10-1-7(2-10)3-10/h7H,1-6H2,(H,12,13)
InChIKey GXIBQNSFUUGCNQ-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OC(C12CC(C34CC(C4)C3)(C1)C2)=O
SPLASH splash10-00mo-8900000000-d21526c1ed043b3b2ba0
Source of Spectrum C-114-613-2
Wiley ID 1174414