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Acetic acid, trifluoro-, 2,3,5,7a-tetrahydro-7-[[(trifluoroacetyl)oxy]methyl]-1H-pyrrolizin-1- yl ester, (1R-trans)-
SpectraBase Compound ID 7MYCyiTFTyl
InChI InChI=1S/C12H11F6NO4/c13-11(14,15)9(20)22-5-6-1-3-19-4-2-7(8(6)19)23-10(21)12(16,17)18/h1,7-8H,2-5H2
InChIKey JMPAPAJHPXOVDC-UHFFFAOYSA-N
Mol Weight 347.21 g/mol
Molecular Formula C12H11F6NO4
Exact Mass 347.059227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lVXBFOc5Vo
Name Acetic acid, trifluoro-, 2,3,5,7A-tetrahydro-7-[[(trifluoroacetyl)oxy]methyl]-1H-pyrrolizin-1- yl ester, (1R-trans)-
Comments Computed using HOSE algorithm
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Exact Mass 347.059226812 u
Formula C12H11F6NO4
InChI InChI=1S/C12H11F6NO4/c13-11(14,15)9(20)22-5-6-1-3-19-4-2-7(8(6)19)23-10(21)12(16,17)18/h1,7-8H,2-5H2
InChIKey JMPAPAJHPXOVDC-UHFFFAOYSA-N
Molecular Weight 347.213 g/mol
SMILES C(C(OC1C2C(=CCN2CC1)COC(C(F)(F)F)=O)=O)(F)(F)F