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1,2,3,4,7-PENTAFLUORO-[5,6,6-TRIDEUTERIO]-TRICYCLO-[3.3.1.0(2,7)]-NON-3-ENE-8,8-DIOL-HEMIHYDRATE
SpectraBase Compound ID IrWEzbzdooC
InChI InChI=1S/C9H7F5O2/c10-4-3-1-6(12)8(14,5(4)11)7(13,2-3)9(6,15)16/h3,15-16H,1-2H2/t3-,6-,7-,8-/m1/s1/i1D2,3D/t3-,6+,7+,8-/m0
InChIKey DJEQYHIBTQODGU-RBUQLOHKSA-N
Mol Weight 245.16 g/mol
Molecular Formula C9H42H3F5O2
Exact Mass 245.055451 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bu6ynPqmUYU
Name 1,2,3,4,7-PENTAFLUORO-[5,6,6-TRIDEUTERIO]-TRICYCLO-[3.3.1.0(2,7)]-NON-3-ENE-8,8-DIOL-HEMIHYDRATE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H42H3F5O2
InChI InChI=1S/C9H7F5O2/c10-4-3-1-6(12)8(14,5(4)11)7(13,2-3)9(6,15)16/h3,15-16H,1-2H2/t3-,6-,7-,8-/m1/s1/i1D2,3D/t3-,6+,7+,8-/m0
InChIKey DJEQYHIBTQODGU-RBUQLOHKSA-N
Literature Reference Author G.M.BROOKE,D.H.HALL,H.M.M.SHEARER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,780(1978)
Literature Reference DOI 10.1039/p19780000780
Solvent ACETONE-D6
Source File Reference UWPS1480