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ETHYL-5-IODO-8-HYDROXY-8-TRIFLUOROMETHYL-7-OXABICYClO-[4.3.0]-NONANE-9-CARBOXYLATE;MINOR-ISOMER
SpectraBase Compound ID KtL5REyZC3k
InChI InChI=1S/C12H16F3IO4/c1-2-19-10(17)8-6-4-3-5-7(16)9(6)20-11(8,18)12(13,14)15/h6-9,18H,2-5H2,1H3/t6-,7+,8+,9+,11-/m0/s1
InChIKey MRURUXXBSSVCFK-FNBUAPEOSA-N
Mol Weight 408.16 g/mol
Molecular Formula C12H16F3IO4
Exact Mass 408.004538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZxEnavt8xM
Name ETHYL-5-IODO-8-HYDROXY-8-TRIFLUOROMETHYL-7-OXABICYClO-[4.3.0]-NONANE-9-CARBOXYLATE;MINOR-ISOMER
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16F3IO4
InChI InChI=1S/C12H16F3IO4/c1-2-19-10(17)8-6-4-3-5-7(16)9(6)20-11(8,18)12(13,14)15/h6-9,18H,2-5H2,1H3/t6-,7+,8+,9+,11-/m0/s1
InChIKey MRURUXXBSSVCFK-FNBUAPEOSA-N
Literature Reference Author J.P.BEGUE,D.BONNET-DELPON,R.DOGBEAVOU,M.OUREVITCH
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2787(1993)
Literature Reference DOI 10.1039/p19930002787
Molecular Weight 408.156 g/mol
Solvent Unknown
Source File Reference UWCS16698