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dl-Homatropine heptafluorobutyrate

View entire compound with spectra: 1 NMR

dl-Homatropine heptafluorobutyrate
SpectraBase Compound ID 5urrztqgLVz
InChI InChI=1S/C20H20F7NO4/c1-28-12-7-8-13(28)10-14(9-12)31-16(29)15(11-5-3-2-4-6-11)32-17(30)18(21,22)19(23,24)20(25,26)27/h2-6,12-15H,7-10H2,1H3
InChIKey WXQMWFNAUHAVCO-UHFFFAOYSA-N
Mol Weight 471.37 g/mol
Molecular Formula C20H20F7NO4
Exact Mass 471.128055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyN1wEK3KcR
Name dl-Homatropine heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 471.128055265 u
Formula C20H20F7NO4
InChI InChI=1S/C20H20F7NO4/c1-28-12-7-8-13(28)10-14(9-12)31-16(29)15(11-5-3-2-4-6-11)32-17(30)18(21,22)19(23,24)20(25,26)27/h2-6,12-15H,7-10H2,1H3
InChIKey WXQMWFNAUHAVCO-UHFFFAOYSA-N
Molecular Weight 471.372 g/mol
SMILES C1C2N(C)C(C1)CC(C2)OC(C(OC(C(C(F)(C(F)(F)F)F)(F)F)=O)C1=CC=CC=C1)=O