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Levallorphan TFA
SpectraBase Compound ID 3riZ7tuMGWx
InChI InChI=1S/C21H24F3NO2/c1-2-10-25-11-9-20-8-4-3-5-16(20)18(25)12-14-6-7-15(13-17(14)20)27-19(26)21(22,23)24/h2,6-7,13,16,18H,1,3-5,8-12H2/t16?,18-,20-/m1/s1
InChIKey BQSQXSLAVDBPBC-PUGIBVIZSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H24F3NO2
Exact Mass 379.175914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gpwCRjTFY
Name Levallorphan TFA
Classification Opioid antagonist
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Exact Mass 379.175913504 u
Formula C21H24F3NO2
InChI InChI=1S/C21H24F3NO2/c1-2-10-25-11-9-20-8-4-3-5-16(20)18(25)12-14-6-7-15(13-17(14)20)27-19(26)21(22,23)24/h2,6-7,13,16,18H,1,3-5,8-12H2/t16?,18-,20-/m1/s1
InChIKey BQSQXSLAVDBPBC-PUGIBVIZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 379.423 g/mol
SMILES c12c(C[C@]3(N(CC=C)CC[C@]11C3CCCC1)[H])ccc(OC(=O)C(F)(F)F)c2
SPLASH splash10-00or-6829000000-c8ede344f9023844cbdb
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_6225