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(5R,1'R,4'R)-AND-(5S,1'R,4'R)-4,5-DIHYDRO-3-(3''-CHLORO-4''-METHYLPHENYL)-SPIRO-[1,4,2-OXATHIAZOLE]-5,2'-CAMPHANE
SpectraBase Compound ID NpZGx6lPqG
InChI InChI=1S/2C18H22ClNOS/c2*1-11-5-6-12(9-14(11)19)15-20-21-18(22-15)10-13-7-8-17(18,4)16(13,2)3/h2*5-6,9,13H,7-8,10H2,1-4H3/t13-,17+,18+;13-,17+,18-/m10/s1
InChIKey LQTMEDAOWNZEAC-COCWIXEJSA-N
Mol Weight 671.79 g/mol
Molecular Formula C36H44Cl2N2O2S2
Exact Mass 670.222126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nEz4SZAzaC
Name (5R,1'R,4'R)-AND-(5S,1'R,4'R)-4,5-DIHYDRO-3-(3''-CHLORO-4''-METHYLPHENYL)-SPIRO-[1,4,2-OXATHIAZOLE]-5,2'-CAMPHANE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44Cl2N2O2S2
InChI InChI=1S/2C18H22ClNOS/c2*1-11-5-6-12(9-14(11)19)15-20-21-18(22-15)10-13-7-8-17(18,4)16(13,2)3/h2*5-6,9,13H,7-8,10H2,1-4H3/t13-,17+,18+;13-,17+,18-/m10/s1
InChIKey LQTMEDAOWNZEAC-COCWIXEJSA-N
Literature Reference Author A.FEDDOULI,M.Y.A.ITTO,A.HASNAOUI,D.VILLEMIN,P.A.JAFFRES,J.S. D.O.SANTOS,A.RIAHI,
Literature Reference Citation J.HETCYCL.CHEM.,41,731(2004)
Literature Reference DOI 10.1002/jhet.5570410513
Molecular Weight 671.784 g/mol
Solvent CDCl3
Source File Reference UWLU22470