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(-)-.beta.-Methadol
SpectraBase Compound ID DqkbnPKIRsm
InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3
InChIKey QIRAYNIFEOXSPW-UHFFFAOYSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HC0bV4G4AX
Name Methadol
Classification Potent analgesic
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Exact Mass 311.224914557 u
Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3
InChIKey QIRAYNIFEOXSPW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 311.469 g/mol
SMILES C(CC(N(C)C)C)(c1ccccc1)(c1ccccc1)C(O)CC
SPLASH splash10-00di-9200000000-7faaa6b2016bd89b2c0a
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_5617