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Pentylone
SpectraBase Compound ID JXeQpIo8RPJ
InChI InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3
InChIKey DFMLULIEUUXXSA-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89epJtCXmQ7
Name PENTYLONE;1-(3,4-METHYLENEDIOXYPHENYL)-2-(METHYLAMINO)-PENTAN-1-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3
InChIKey DFMLULIEUUXXSA-UHFFFAOYSA-N
Literature Reference Author S.D.BRANDT,S.FREEMAN,H.R.SUMNALL,F.MEASHAM,J.COLE
Literature Reference Citation DRUG.TEST.ANAL.,3,569(2011)
Literature Reference DOI 10.1002/dta.204
Molecular Weight 235.283 g/mol
Sample ID 72227
Solvent CDCl3