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Rel-2S,4R,6S-4-(N'-<1-adamantyl>-thioureido)-2,6-dimethyl-1,3-dioxane

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Rel-2S,4R,6S-4-(N'-<1-adamantyl>-thioureido)-2,6-dimethyl-1,3-dioxane
SpectraBase Compound ID B8HfquwmAWm
InChI InChI=1S/C17H28N2O2S/c1-10-3-15(21-11(2)20-10)18-16(22)19-17-7-12-4-13(8-17)6-14(5-12)9-17/h10-15H,3-9H2,1-2H3,(H2,18,19,22)/t10?,11?,12-,13+,14-,15?,17-
InChIKey XYJCPXOUVJPSQN-IBHKLWHBSA-N
Mol Weight 324.48 g/mol
Molecular Formula C17H28N2O2S
Exact Mass 324.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xSEAfoY6IX
Name Rel-2S,4S,6S-4-(N'-<1-adamantyl>-thioureido)-2,6-dimethyl-1,3-dioxane
Comments VARIAN UNITY-500 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H28N2O2S
InChI InChI=1S/C17H28N2O2S/c1-10-3-15(21-11(2)20-10)18-16(22)19-17-7-12-4-13(8-17)6-14(5-12)9-17/h10-15H,3-9H2,1-2H3,(H2,18,19,22)/t10?,11?,12-,13+,14-,15?,17-
InChIKey XYJCPXOUVJPSQN-IBHKLWHBSA-N
Instrument Name see comment
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