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3R-(2-Nitro-prop-2-yl)-cyclohexanone 2R,3R-butanediol acetal

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3R-(2-Nitro-prop-2-yl)-cyclohexanone 2R,3R-butanediol acetal
SpectraBase Compound ID HQC75fd9jyT
InChI InChI=1S/C13H23NO4/c1-9-10(2)18-13(17-9)7-5-6-11(8-13)12(3,4)14(15)16/h9-11H,5-8H2,1-4H3
InChIKey NSLHOANZNLNQBV-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 BHNMjUeC91i
Name 3S-(2-Nitro-prop-2-yl)-cyclohexanone 2R,3R-butanediol acetal
CAS Registry Number 106034-31-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H23NO4
InChI InChI=1S/C13H23NO4/c1-9-10(2)18-13(17-9)7-5-6-11(8-13)12(3,4)14(15)16/h9-11H,5-8H2,1-4H3
InChIKey NSLHOANZNLNQBV-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