John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5elExPm4mTw SpectraBase Spectrum ID=CSjmg6GB5TU

(accessed ).
2,3-MDPV;2,3-METHYLENEDIOXY-PYROVALERONE
SpectraBase Compound ID 5elExPm4mTw
InChI InChI=1S/C16H21NO3/c1-2-6-13(17-9-3-4-10-17)15(18)12-7-5-8-14-16(12)20-11-19-14/h5,7-8,13H,2-4,6,9-11H2,1H3
InChIKey LBRDQHPPVAYKTK-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSjmg6GB5TU
Name 2,3-MDPV;2,3-METHYLENEDIOXY-PYROVALERONE
Compound Number 3A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-2-6-13(17-9-3-4-10-17)15(18)12-7-5-8-14-16(12)20-11-19-14/h5,7-8,13H,2-4,6,9-11H2,1H3
InChIKey LBRDQHPPVAYKTK-UHFFFAOYSA-N
Literature Reference Author P.KAVANAGH,J.OBRIEN,J.FOX,C.ODONNELL,R.CHRISTIE,J.D.POWER,S. D.MCDERMOTT
Literature Reference Citation FOR.SCI.INT.,216,19(2012)
Literature Reference DOI 10.1016/j.forsciint.2011.08.011
Molecular Weight 275.348 g/mol
Sample ID 70780
Solvent CDCl3_OR_DMSO-D6
SpectraBase Batch ID GQ81S8MkZEg