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Noratropine, N,o-bis(trifluoroacetyl)-

View entire compound with spectra: 1 NMR

Noratropine, N,o-bis(trifluoroacetyl)-
SpectraBase Compound ID 8cmC4DIH1Um
InChI InChI=1S/C20H19F6NO5/c21-19(22,23)17(29)27-12-6-7-13(27)9-14(8-12)32-16(28)15(11-4-2-1-3-5-11)10-31-18(30)20(24,25)26/h1-5,12-15H,6-10H2/t12-,13+,14?,15?
InChIKey QGHJNDQDNHBEQU-DGKWVBSXSA-N
Mol Weight 467.36 g/mol
Molecular Formula C20H19F6NO5
Exact Mass 467.116742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4u0Vm8Ermi0
Name Noratropine, N,o-bis(trifluoroacetyl)-
Comments Computed using HOSE algorithm
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Exact Mass 467.116741689 u
Formula C20H19F6NO5
InChI InChI=1S/C20H19F6NO5/c21-19(22,23)17(29)27-12-6-7-13(27)9-14(8-12)32-16(28)15(11-4-2-1-3-5-11)10-31-18(30)20(24,25)26/h1-5,12-15H,6-10H2/t12-,13+,14?,15?
InChIKey QGHJNDQDNHBEQU-DGKWVBSXSA-N
Molecular Weight 467.364 g/mol
SMILES C1[C@@]2(N([C@](CC1OC(C(C1=CC=CC=C1)COC(C(F)(F)F)=O)=O)(CC2)[H])C(C(F)(F)F)=O)[H]