John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IMfG1YqWCU6 SpectraBase Spectrum ID=11IC4Ztlkf3

(accessed ).
4-(PYRROLE-2-CARBOXAMIDOMETHYL)-BENZENESULFONAMIDE
SpectraBase Compound ID IMfG1YqWCU6
InChI InChI=1S/C12H13N3O3S/c13-19(17,18)10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8H2,(H,15,16)(H2,13,17,18)
InChIKey YCIGNFDXPHTVMY-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C12H13N3O3S
Exact Mass 279.067763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11IC4Ztlkf3
Name 4-(PYRROLE-2-CARBOXAMIDOMETHYL)-BENZENESULFONAMIDE
Compound Number A4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N3O3S
InChI InChI=1S/C12H13N3O3S/c13-19(17,18)10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8H2,(H,15,16)(H2,13,17,18)
InChIKey YCIGNFDXPHTVMY-UHFFFAOYSA-N
Literature Reference Author M.ILIES,C.T.SUPURAN,A.SCOZZAFAVA,A.CASINI,F.MINCIONE,L.MENAB UONI,M.T.CAPROIU,M.M
Literature Reference Citation BIOORG.MED.CHEM.,8,2145(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00143-7
Molecular Weight 279.314 g/mol
Solvent DMSO-D6
Source File Reference UWVN20359
SpectraBase Batch ID Dm3GP8Q7BJS