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1,4-DIETHYL-4-NITRO-CYCLOHEXA-2,5-DIENYL-ACETATE;(DIASTEREOMER-A)
SpectraBase Compound ID 2XFQ7MXOt5v
InChI InChI=1S/C12H17NO4/c1-4-11(13(15)16)6-8-12(5-2,9-7-11)17-10(3)14/h6-9H,4-5H2,1-3H3
InChIKey GFTVOHUBUINGNQ-UHFFFAOYSA-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 J66P2VfnZ4x
Name 1,4-DIETHYL-4-NITRO-CYCLOHEXA-2,5-DIENYL-ACETATE;(DIASTEREOMER-A)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-4-11(13(15)16)6-8-12(5-2,9-7-11)17-10(3)14/h6-9H,4-5H2,1-3H3
InChIKey GFTVOHUBUINGNQ-UHFFFAOYSA-N
Literature Reference Author A.FISCHER,G.N.HENDERSON,R.J.THOMPSON
Literature Reference Citation AUSTR.J.CHEM.,31,1241(1978)
Literature Reference DOI 10.1071/ch9781241
Molecular Weight 239.271 g/mol
Solvent CDCl3
Source File Reference UNIW22710