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2-NITRO-2-(3'-OXO-PENTYL)-CYCLOHEPTANONE
SpectraBase Compound ID DfoeRH2KAN7
InChI InChI=1S/C12H19NO4/c1-2-10(14)7-9-12(13(16)17)8-5-3-4-6-11(12)15/h2-9H2,1H3
InChIKey VPOYCEONSDAELJ-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXWNoKHdOh9
Name 2-NITRO-2-(3'-OXO-PENTYL)-CYCLOHEPTANONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-2-10(14)7-9-12(13(16)17)8-5-3-4-6-11(12)15/h2-9H2,1H3
InChIKey VPOYCEONSDAELJ-UHFFFAOYSA-N
Literature Reference Author G.GIORGI,P.LOPEZ-ALVARDO,S.MIRAND,J.RODRIGUEZ,J.C.MENENDEZ
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1327(2013)
Literature Reference DOI 10.1002/ejoc.201201431
Molecular Weight 241.287 g/mol
Solvent CDCl3
Source File Reference UWBT17604