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propanamide, 3-[(4-bromophenyl)sulfonyl]-N-(2,5-dimethoxyphenyl)-
SpectraBase Compound ID HQBjdnPNGG5
InChI InChI=1S/C17H18BrNO5S/c1-23-13-5-8-16(24-2)15(11-13)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKey JSKMIVQUAPLZGO-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C17H18BrNO5S
Exact Mass 427.008907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eaf7ecZlpB9
Name Propanamide, 3-[(4-bromophenyl)sulfonyl]-N-(2,5-dimethoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 427.008906853 u
Formula C17H18BrNO5S
InChI InChI=1S/C17H18BrNO5S/c1-23-13-5-8-16(24-2)15(11-13)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKey JSKMIVQUAPLZGO-UHFFFAOYSA-N
Molecular Weight 428.297 g/mol
SMILES N(C=1C=C(OC)C=CC1OC)C(CCS(C1=CC=C(C=C1)Br)(=O)=O)=O