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Levorphanol, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

Levorphanol, chlorodifluoroacetate
SpectraBase Compound ID LjkRH1WMTyL
InChI InChI=1S/C19H22ClF2NO2/c1-23-9-8-18-7-3-2-4-14(18)16(23)10-12-5-6-13(11-15(12)18)25-17(24)19(20,21)22/h5-6,11,14,16H,2-4,7-10H2,1H3/t14?,16-,18-/m0/s1
InChIKey ZKWWQJGASRXKKA-CMTKHDEESA-N
Mol Weight 369.84 g/mol
Molecular Formula C19H22ClF2NO2
Exact Mass 369.130713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3og2Fx3bOq6
Name Levorphanol, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 369.130712976 u
Formula C19H22ClF2NO2
InChI InChI=1S/C19H22ClF2NO2/c1-23-9-8-18-7-3-2-4-14(18)16(23)10-12-5-6-13(11-15(12)18)25-17(24)19(20,21)22/h5-6,11,14,16H,2-4,7-10H2,1H3/t14?,16-,18-/m0/s1
InChIKey ZKWWQJGASRXKKA-CMTKHDEESA-N
Molecular Weight 369.840 g/mol
SMILES CN1CC[C@]23C([C@@]1(CC1=C3C=C(C=C1)OC(C(F)(F)Cl)=O)[H])CCCC2