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2-ETHYL-5-METHYL-5-NITRO-m-DIOXANE
SpectraBase Compound ID Jd6ts0eycm0
InChI InChI=1S/C7H13NO4/c1-3-6-11-4-7(2,5-12-6)8(9)10/h6H,3-5H2,1-2H3
InChIKey JLZTVENTVLCGAO-UHFFFAOYSA-N
Mol Weight 175.18 g/mol
Molecular Formula C7H13NO4
Exact Mass 175.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrWY7UPPeqz
Name 2-Ethyl-5-methyl-5-nitro-1,3-dioxane
CAS Registry Number 63275-22-9
Comments isomer 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H13NO4
InChI InChI=1S/C7H13NO4/c1-3-6-11-4-7(2,5-12-6)8(9)10/h6H,3-5H2,1-2H3
InChIKey JLZTVENTVLCGAO-UHFFFAOYSA-N
Literature Reference E.G. Janzen, R.L. Dudley, R.V.Shetty, J. Am. Chem. Soc. 101, 243 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3