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1-[(4-CHLOROPHENYL)METHYL]-3-CYCLOHEXYLMETHYL-2,1,3-BENZOTHIADIAZIN-4-ONE-2,2-DIOXIDE
SpectraBase Compound ID AsXapXMbvM6
InChI InChI=1S/C21H17ClN2O3S/c22-18-12-10-17(11-13-18)14-23-20-9-5-4-8-19(20)21(25)24(28(23,26)27)15-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKey WYIGFYOFVCVLSI-UHFFFAOYSA-N
Mol Weight 412.89 g/mol
Molecular Formula C21H17ClN2O3S
Exact Mass 412.064841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wiD7fCCrl7
Name 1-[(4-CHLOROPHENYL)METHYL]-3-CYCLOHEXYLMETHYL-2,1,3-BENZOTHIADIAZIN-4-ONE-2,2-DIOXIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClN2O3S
InChI InChI=1S/C21H17ClN2O3S/c22-18-12-10-17(11-13-18)14-23-20-9-5-4-8-19(20)21(25)24(28(23,26)27)15-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKey WYIGFYOFVCVLSI-UHFFFAOYSA-N
Literature Reference Author A.MARTINEZ,C.GIL,A.CASTRO,C.PEREZ,C.PRIETO,J.OTERO
Literature Reference Citation BIOORG.MED.CHEM.,11,2395(2003)
Literature Reference DOI 10.1016/s0968-0896(03)00148-2
Molecular Weight 412.891 g/mol
Solvent CDCl3
Source File Reference UWDB2030