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Methadone

View entire compound with spectra: 1 FTIR, and 35 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 2NsI9OH5IEs
Name 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-
Alternate Name(s) (+-)-Methadone (+/-)-Methadone 2-Dimethylamino-4,4-diphenyl-5-heptanone 6-(Dimethylamino)-4,4-diphenyl-3-heptanone 6-(dimethylamino)-4,4-diphenyl-heptan-3-one Adanon Adanon hydrochloride Adolan Algovetin Althose Amidon Amidone Diaminon dl-Methadone Dolophin Dolophine Heptadone Heptanon Heptanon (pharmaceutical) Ketalgin Mecodin Metadona Metadone Metasedin Methadon Methadona Methadone Methadonum Phenadone Physeptone Polamidon Polamidone Polamivet Racemic methadone Sedo-Rapide AN 148 K 174 A 4624 BRN 3213669 DEA NO. 9250 EINECS 200-996-9 HOECHST 10820 HSDB 3119
CAS Registry Number 76-99-3
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 C(CC(N(C)C)C)(C(=O)CC)(c1ccccc1)c1ccccc1
SPLASH splash10-00di-9100000000-64519b62f50bbadfca8e
Wiley ID 1509505