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2-{[(4-Bromophenyl)sulfonyl]amino}ethyl 4-bromobenzenesulfonate
SpectraBase Compound ID HnNAeECYmAi
InChI InChI=1S/C14H13Br2NO5S2/c15-11-1-5-13(6-2-11)23(18,19)17-9-10-22-24(20,21)14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKey GDUGWHBPUVQSON-UHFFFAOYSA-N
Mol Weight 499.19 g/mol
Molecular Formula C14H13Br2NO5S2
Exact Mass 496.860191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAu0l5Y5xt7
Name 2-{[(4-bromophenyl)sulfonyl]amino}ethyl 4-bromobenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 496.860190866 u
Formula C14H13Br2NO5S2
InChI InChI=1S/C14H13Br2NO5S2/c15-11-1-5-13(6-2-11)23(18,19)17-9-10-22-24(20,21)14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKey GDUGWHBPUVQSON-UHFFFAOYSA-N
Molecular Weight 499.188 g/mol
SMILES C(NS(C1=CC=C(C=C1)Br)(=O)=O)COS(C=1C=CC(=CC1)Br)(=O)=O