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3R-Nitromethyl-cyclohexanone 2R,3R-butanediol acetal

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3R-Nitromethyl-cyclohexanone 2R,3R-butanediol acetal
SpectraBase Compound ID BVxC2NzpSqI
InChI InChI=1S/C11H19NO4/c1-8-9(2)16-11(15-8)5-3-4-10(6-11)7-12(13)14/h8-10H,3-7H2,1-2H3
InChIKey UPCGBBUBXDDNEQ-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C11H19NO4
Exact Mass 229.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GicZNN3BO6
Name 3S-Nitromethyl-cyclohexanone 2R,3R-butanediol acetal
CAS Registry Number 106034-30-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H19NO4
InChI InChI=1S/C11H19NO4/c1-8-9(2)16-11(15-8)5-3-4-10(6-11)7-12(13)14/h8-10H,3-7H2,1-2H3
InChIKey UPCGBBUBXDDNEQ-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