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

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2-Chloro-2a-phenyl-2R,2ac, 3at,4,5,6,7,8,8ac,9-decahydro-1H-azeto(2,1-B)cyclohepta(E)-1,3-thiazin-1-one
SpectraBase Compound ID H6UYmsBoD4M
InChI InChI=1S/C17H20ClNOS/c18-15-16(20)19-11-12-7-3-1-6-10-14(12)21-17(15,19)13-8-4-2-5-9-13/h2,4-5,8-9,12,14-15H,1,3,6-7,10-11H2
InChIKey NMLSXUWQQOTLRE-UHFFFAOYSA-N
Mol Weight 321.87 g/mol
Molecular Formula C17H20ClNOS
Exact Mass 321.095413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpcfvI8UQaR
Name 2-Chloro-2a-phenyl-2R,2ac, 3at,4,5,6,7,8,8ac,9-decahydro-1H-azeto(2,1-B)cyclohepta(E)-1,3-thiazin-1-one
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Formula C17H20ClNOS
InChI InChI=1S/C17H20ClNOS/c18-15-16(20)19-11-12-7-3-1-6-10-14(12)21-17(15,19)13-8-4-2-5-9-13/h2,4-5,8-9,12,14-15H,1,3,6-7,10-11H2
InChIKey NMLSXUWQQOTLRE-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