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CCLCNWYUTMBOKR-UHFFFAOYSA-N
SpectraBase Compound ID 6eKJwcLlpdm
InChI InChI=1S/C21H22ClN3O4S/c1-5-29-20(26)19-23-25(14-8-6-13(22)7-9-14)21(2)15-10-16(27-3)17(28-4)11-18(15)30-12-24(19)21/h6-11H,5,12H2,1-4H3
InChIKey CCLCNWYUTMBOKR-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C21H22ClN3O4S
Exact Mass 447.101955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYWAUP28xz
Name CCLCNWYUTMBOKR-UHFFFAOYSA-N
Compound Number 2G
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22ClN3O4S
InChI InChI=1S/C21H22ClN3O4S/c1-5-29-20(26)19-23-25(14-8-6-13(22)7-9-14)21(2)15-10-16(27-3)17(28-4)11-18(15)30-12-24(19)21/h6-11H,5,12H2,1-4H3
InChIKey CCLCNWYUTMBOKR-UHFFFAOYSA-N
Literature Reference Author P.SOHAR,L.FODOR,J.SZABO,G.BERNATH
Literature Reference Citation ORG.MAGN.RES.,22,720(1984)
Literature Reference DOI 10.1002/mrc.1270221111
Molecular Weight 447.936 g/mol
Solvent CDCl3
Source File Reference UWCS11328