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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 AnBhLoNIyJ2
Name ISOMETHADONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name GC
Molecular Weight 309.453 g/mol
SMILES c1ccc(C(C(CN(C)C)C)(c2ccccc2)C(=O)CC)cc1
SPLASH splash10-0a4i-9000000000-76ab43cfdb6779bc5c5d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany