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(.+-.)-Methadone cation

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(.+-.)-Methadone cation
SpectraBase Compound ID Fx2ISyyXCsq
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/p+1
InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-O
Mol Weight 310.46 g/mol
Molecular Formula C21H28NO
Exact Mass 310.21709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91ToQmvX420
Name (.+-.)-Methadone cation
Comments HYDROCHLORIDE, IBM NR 100AF OR BRUKER WM 250 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28NO
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/p+1
InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-O
Instrument Name see comment
Literature Reference S.C. Sumner, C.G. Moreland, F.I. Carroll, Magn. Res. Chem. 27, 311 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6