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Pentedrone HCl
SpectraBase Compound ID 6Zxnjiqvuuj
InChI InChI=1S/C12H17NO.ClH/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10;/h4-6,8-9,11,13H,3,7H2,1-2H3;1H
InChIKey MACVVBRQAPNUKT-UHFFFAOYSA-N
Mol Weight 227.73 g/mol
Molecular Formula C12H18ClNO
Exact Mass 227.107692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDTsHFXzPkR
Name PENTEDRONE-HYDROCHLORIDE;2-(N-METHYLAMINO)-1-PHENYLPENTAN-1-ONE-HYDROCHLORIDE
Compound Number 1.HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18ClNO
InChI InChI=1S/C12H17NO.ClH/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10;/h4-6,8-9,11,13H,3,7H2,1-2H3;1H
InChIKey MACVVBRQAPNUKT-UHFFFAOYSA-N
Literature Reference Author F.WESTPHAL,T.JUNGE,U.GIRRESER,W.GREIBL,C.DOERING
Literature Reference Citation FOR.SCI.INT.,217,157(2012)
Literature Reference DOI 10.1016/j.forsciint.2011.10.045
Molecular Weight 227.734 g/mol
Sample ID 70784
Solvent DMSO-D6