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Rel-2S,4R,6S-4-(N'-<4-bromo-phenyl>-2,6-dimethyl-1,3-dioxane

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Rel-2S,4R,6S-4-(N'-<4-bromo-phenyl>-2,6-dimethyl-1,3-dioxane
SpectraBase Compound ID HW4MSj4WTBJ
InChI InChI=1S/C13H17BrN2O2S/c1-8-7-12(18-9(2)17-8)16-13(19)15-11-5-3-10(14)4-6-11/h3-6,8-9,12H,7H2,1-2H3,(H2,15,16,19)
InChIKey PVCJCUQGVVQWLD-UHFFFAOYSA-N
Mol Weight 345.26 g/mol
Molecular Formula C13H17BrN2O2S
Exact Mass 344.019412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUfeZ3rPMaY
Name Rel-2S,4R,6S-4-(N'-<4-bromo-phenyl>-2,6-dimethyl-1,3-dioxane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17BrN2O2S
InChI InChI=1S/C13H17BrN2O2S/c1-8-7-12(18-9(2)17-8)16-13(19)15-11-5-3-10(14)4-6-11/h3-6,8-9,12H,7H2,1-2H3,(H2,15,16,19)
InChIKey PVCJCUQGVVQWLD-UHFFFAOYSA-N
Literature Reference J. Bernat, L. Kniezo, G. Birosova, Tetrahedron 47, 4665 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3