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3,5,7-FLUOROADAMANTANE-1-CARBOXYLIC-ACID
SpectraBase Compound ID DS50FpfKwyC
InChI InChI=1S/C11H13F3O2/c12-9-1-8(7(15)16)2-10(13,4-9)6-11(14,3-8)5-9/h1-6H2,(H,15,16)/t8-,9+,10-,11+
InChIKey QBRDOUHHJWRTHN-DTIDVZRVSA-N
Mol Weight 234.22 g/mol
Molecular Formula C11H13F3O2
Exact Mass 234.086764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvEKbqDu0Hz
Name 3,5,7-FLUOROADAMANTANE-1-CARBOXYLIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13F3O2
InChI InChI=1S/C11H13F3O2/c12-9-1-8(7(15)16)2-10(13,4-9)6-11(14,3-8)5-9/h1-6H2,(H,15,16)/t8-,9+,10-,11+
InChIKey QBRDOUHHJWRTHN-DTIDVZRVSA-N
Literature Reference Author V.J.JASYS,F.LOMBARDO,T.A.APPLETON,J.BORDNER,M.ZILIOX,R.A.VOL KMANN
Literature Reference Citation J.AM.CHEM.SOC.,122,466(2000)
Literature Reference DOI 10.1021/ja992652x
Molecular Weight 234.218 g/mol
Solvent CDCl3
Source File Reference UWSI2009