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Levallorphan AC
SpectraBase Compound ID 6zxJiTqgIOG
InChI InChI=1S/C21H27NO2/c1-3-11-22-12-10-21-9-5-4-6-18(21)20(22)13-16-7-8-17(14-19(16)21)24-15(2)23/h3,7-8,14,18,20H,1,4-6,9-13H2,2H3/t18?,20-,21-/m1/s1
InChIKey ULUYQMUINKZZKP-VTVVEXCCSA-N
Mol Weight 325.45 g/mol
Molecular Formula C21H27NO2
Exact Mass 325.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Si4IbqS8m
Name Levallorphan AC
Classification Opioid antagonist
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Exact Mass 325.204179111 u
Formula C21H27NO2
InChI InChI=1S/C21H27NO2/c1-3-11-22-12-10-21-9-5-4-6-18(21)20(22)13-16-7-8-17(14-19(16)21)24-15(2)23/h3,7-8,14,18,20H,1,4-6,9-13H2,2H3/t18?,20-,21-/m1/s1
InChIKey ULUYQMUINKZZKP-VTVVEXCCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 325.452 g/mol
SMILES c12cc(OC(=O)C)ccc2C[C@]2(N(CC=C)CC[C@]11C2CCCC1)[H]
SPLASH splash10-0571-7954000000-1abe0fccbd690afb7206
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.
Sample Preparation Procedure Detected: UHYAC
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_1473