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2-Chloro-2a-phenyl-2R,2ac, 3at,4,5,6,7,8,9,9ac-decahydro-1H,10H-azeto(2,1-B)cycloocta(E)-1,3-thiazin-1-one

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2-Chloro-2a-phenyl-2R,2ac, 3at,4,5,6,7,8,9,9ac-decahydro-1H,10H-azeto(2,1-B)cycloocta(E)-1,3-thiazin-1-one
SpectraBase Compound ID BVIJ2IlMIiY
InChI InChI=1S/C18H22ClNOS/c19-16-17(21)20-12-13-8-4-1-2-7-11-15(13)22-18(16,20)14-9-5-3-6-10-14/h3,5-6,9-10,13,15-16H,1-2,4,7-8,11-12H2
InChIKey CBEPYINSWRKSTH-UHFFFAOYSA-N
Mol Weight 335.89 g/mol
Molecular Formula C18H22ClNOS
Exact Mass 335.111063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nmp7N8uAxo
Name 2-Chloro-2a-phenyl-2R,2ac, 3at,4,5,6,7,8,9,9ac-decahydro-1H,10H-azeto(2,1-B)cycloocta(E)-1,3-thiazin-1-one
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Formula C18H22ClNOS
InChI InChI=1S/C18H22ClNOS/c19-16-17(21)20-12-13-8-4-1-2-7-11-15(13)22-18(16,20)14-9-5-3-6-10-14/h3,5-6,9-10,13,15-16H,1-2,4,7-8,11-12H2
InChIKey CBEPYINSWRKSTH-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference P. Sohar, J. Szabo, L. Simon, Magn. Res. Chem. 29, 687 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3