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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 L16Skf4Z6WF
Name 1,4-Diethyl-4-nitro-cyclohexa-2,5-dienyl-acetate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name SF = 060 MHz
Literature Reference Austr. J. Chem. 31, 1241 (1978).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3