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Methadone

View entire compound with spectra: 1 FTIR, and 36 MS (GC)

Methadone
SpectraBase Compound ID Fx2I9coET4K
InChI InChI=1S/C21H27NO/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/h6-15,17H,5,16H2,1-4H3
InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhK6nFNLlD9
Name Methadone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO
InChI InChI=1S/C21H27NO/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/h6-15,17H,5,16H2,1-4H3
InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES c1c(cccc1)C(c1ccccc1)(CC(N(C)C)C)C(=O)CC
SPLASH splash10-00di-9100000000-a8e9484f95a9abc23ec0
Source of Spectrum SWG-33-2821-0
Synonyms Dolophine Methadose (RS)-6-(Dimethylamino)-4,4-diphenylheptan-3-one 6-(dimethylamino)-4,4-diphenylheptan-3-one
Wiley ID 1809835