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Isomethadone

View entire compound with spectra: 4 MS (GC)

Isomethadone
SpectraBase Compound ID 3ySAYM8KPPv
InChI InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey IFKPLJWIEQBPGG-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 4Q5Gx6idirk
Name Isomethadone
Alternate Name(s) 1,1-Diphenyl-1-(dimethylaminoisopropyl)butanone-2 3-Hexanone, 6-(dimethylamino)-4,4-diphenyl-5-methyl- 6-Dimethylamino-5-methyl-4,4-diphenyl-3-hexanone Isadanone Isoamidone Isoamidone ii Isomethadone ii Liden (l-form) 6-(dimethylamino)-5-methyl-4,4-diphenyl-3-hexanone 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one Win-1783
CAS Registry Number 466-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey IFKPLJWIEQBPGG-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES CN(C)CC(C)C(C(CC)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-9200000000-24fc23e798979e18d5b7
Source of Spectrum NP-10-6294-0
Wiley ID 1109049