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3R-(2-Nitro-propyl)-cyclohexanone 2R,3R-butanediol acetal isomer 1
SpectraBase Compound ID JzJyIc6A4Sv
InChI InChI=1S/C13H23NO4/c1-4-12(14(15)16)11-6-5-7-13(8-11)17-9(2)10(3)18-13/h9-12H,4-8H2,1-3H3
InChIKey PBNYOOMIOZPPTR-UHFFFAOYSA-N
Mol Weight 257.33 g/mol
Molecular Formula C13H23NO4
Exact Mass 257.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5agiUasWAtH
Name 3R-(2-Nitro-propyl)-cyclohexanone 2R,3R-butanediol acetal isomer 1
CAS Registry Number 105969-79-7
Comments ASSIGNMENT INTERCHANGEABLE BETWEEN BOTH ISOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H23NO4
InChI InChI=1S/C13H23NO4/c1-4-12(14(15)16)11-6-5-7-13(8-11)17-9(2)10(3)18-13/h9-12H,4-8H2,1-3H3
InChIKey PBNYOOMIOZPPTR-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