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3R-(2-Nitro-ethyl)-cyclohexanone 2R,3R-butanediol acetal isomer 1
SpectraBase Compound ID 6ebXEqJ3dgH
InChI InChI=1S/C12H21NO4/c1-8(13(14)15)11-5-4-6-12(7-11)16-9(2)10(3)17-12/h8-11H,4-7H2,1-3H3
InChIKey OXEIJXXLWFBVGW-UHFFFAOYSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOqrLRlFSoy
Name 3S-(2-Nitro-ethyl)-cyclohexanone 2R,3R-butanediol acetal isomer 2
CAS Registry Number 105969-78-6
Comments ASSIGNMENT INTERCHANGEABLE BETWEEN BOTH ISOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-8(13(14)15)11-5-4-6-12(7-11)16-9(2)10(3)17-12/h8-11H,4-7H2,1-3H3
InChIKey OXEIJXXLWFBVGW-UHFFFAOYSA-N
Literature Reference J.J. Lemiere, R.A. Domisse, J.A. Lepoivre, J. Am. Chem. Soc. 109, 1363 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported