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Levallorphan HFB
SpectraBase Compound ID BV2RQoXdFkQ
InChI InChI=1S/C23H24F7NO2/c1-2-10-31-11-9-20-8-4-3-5-16(20)18(31)12-14-6-7-15(13-17(14)20)33-19(32)21(24,25)22(26,27)23(28,29)30/h2,6-7,13,16,18H,1,3-5,8-12H2/t16?,18-,20-/m0/s1
InChIKey QWYJWAUUDONOKT-WNPSOCMYSA-N
Mol Weight 479.44 g/mol
Molecular Formula C23H24F7NO2
Exact Mass 479.169526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID u4NEKsHhQy
Name Levallorphan HFB
Classification Opioid antagonist
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Exact Mass 479.169526156 u
Formula C23H24F7NO2
InChI InChI=1S/C23H24F7NO2/c1-2-10-31-11-9-20-8-4-3-5-16(20)18(31)12-14-6-7-15(13-17(14)20)33-19(32)21(24,25)22(26,27)23(28,29)30/h2,6-7,13,16,18H,1,3-5,8-12H2/t16?,18-,20-/m0/s1
InChIKey QWYJWAUUDONOKT-WNPSOCMYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 479.439 g/mol
SMILES c12[C@]34CCN([C@](C4CCCC3)(Cc2ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1)[H])CC=C
SPLASH splash10-0fb9-1201900000-59959502669170dbd1f7
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6227