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4-Ethoxycarbonyl-3-methyl-3-(1-nitro-ethyl)-cyclohexanone
SpectraBase Compound ID 1Yz0d9McD41
InChI InChI=1S/C12H19NO5/c1-4-18-11(15)10-6-5-9(14)7-12(10,3)8(2)13(16)17/h8,10H,4-7H2,1-3H3
InChIKey CGVBMGOVBGOCRC-UHFFFAOYSA-N
Mol Weight 257.29 g/mol
Molecular Formula C12H19NO5
Exact Mass 257.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpIWGaCuLqM
Name 4-Ethoxycarbonyl-3-methyl-3-(1-nitro-ethyl)-cyclohexanone
CAS Registry Number 74601-48-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H19NO5
InChI InChI=1S/C12H19NO5/c1-4-18-11(15)10-6-5-9(14)7-12(10,3)8(2)13(16)17/h8,10H,4-7H2,1-3H3
InChIKey CGVBMGOVBGOCRC-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference W.R. Bowman, B.T. Golding, W.P.Watson, J. Chem. Soc. Perkin II 731 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6