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(E)-4-(1'-NITRO-2'-OXO-CYCLOOCTYL)-3-BUTEN-2-ONE
SpectraBase Compound ID IKhjo8HgNhc
InChI InChI=1S/C12H17NO4/c1-10(14)7-9-12(13(16)17)8-5-3-2-4-6-11(12)15/h7,9H,2-6,8H2,1H3/b9-7+
InChIKey SNHYSIJTKPGPRY-VQHVLOKHSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFSgQxBxV3V
Name (E)-4-(1'-NITRO-2'-OXO-CYCLOOCTYL)-3-BUTEN-2-ONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-10(14)7-9-12(13(16)17)8-5-3-2-4-6-11(12)15/h7,9H,2-6,8H2,1H3/b9-7+
InChIKey SNHYSIJTKPGPRY-VQHVLOKHSA-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 239.271 g/mol
Solvent CDCl3
Source File Reference UWBT17617