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LBUSDQRGFSNQIC-UHFFFAOYSA-N
SpectraBase Compound ID C7RU0Vw0nXi
InChI InChI=1S/C23H19Cl2NO3S/c1-23(2,3)30(27,28)20-13-15-12-18(14-8-10-16(24)11-9-14)21(26-22(15)29-20)17-6-4-5-7-19(17)25/h4-13H,1-3H3
InChIKey LBUSDQRGFSNQIC-UHFFFAOYSA-N
Mol Weight 460.38 g/mol
Molecular Formula C23H19Cl2NO3S
Exact Mass 459.04627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PsRx6U7fSU
Name LBUSDQRGFSNQIC-UHFFFAOYSA-N
Compound Number MRL-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H19Cl2NO3S
InChI InChI=1S/C23H19Cl2NO3S/c1-23(2,3)30(27,28)20-13-15-12-18(14-8-10-16(24)11-9-14)21(26-22(15)29-20)17-6-4-5-7-19(17)25/h4-13H,1-3H3
InChIKey LBUSDQRGFSNQIC-UHFFFAOYSA-N
Literature Reference Author T.J.BATEMAN,J.S.DEBENHAM,C.MADSEN-DUGGAN,R.B.TOUPENCE,T.F.WA LSH,Q.TRUONG,S.A.BRA
Literature Reference Citation DRUG.MET.DISP.,38,108(2010)
Literature Reference DOI 10.1124/dmd.109.029801
Molecular Weight 460.375 g/mol
Source File Reference UWLU74072