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Methadone-M (bis-nor-HO-) -H2O AC
SpectraBase Compound ID 6uRsQvAjKO1
InChI InChI=1S/C21H23NO2/c1-4-20-21(14-15(2)22-20,17-8-6-5-7-9-17)18-10-12-19(13-11-18)24-16(3)23/h5-13,15H,4,14H2,1-3H3
InChIKey QTGHFTSMQUHLCJ-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qTqO88miu8
Name Methadone-M (bis-nor-HO-) -H2O AC
Classification Potent analgesic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 321.172878983 u
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-4-20-21(14-15(2)22-20,17-8-6-5-7-9-17)18-10-12-19(13-11-18)24-16(3)23/h5-13,15H,4,14H2,1-3H3
InChIKey QTGHFTSMQUHLCJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 321.420 g/mol
SMILES C=1(C(c2ccc(OC(=O)C)cc2)(CC(N1)C)c1ccccc1)CC
SPLASH splash10-0600-2490000000-7b889c5f55b3026c4807
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_5298