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BARBAMIDE
SpectraBase Compound ID xrLCteWtDA
InChI InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+
InChIKey UGNRFJOMRFTXSQ-DTQAZKPQSA-N
Mol Weight 461.84 g/mol
Molecular Formula C20H23Cl3N2O2S
Exact Mass 460.054582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDa88nsS76e
Name BARBAMIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23Cl3N2O2S
InChI InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+
InChIKey UGNRFJOMRFTXSQ-DTQAZKPQSA-N
Literature Reference Author J.ORJALA,W.H.GERWICK
Literature Reference Citation J.NAT.PROD.,59,427(1996)
Literature Reference DOI 10.1021/np960085a
Molecular Weight 461.834 g/mol
Solvent DMSO-D6
Source File Reference UWVP2456