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2,4-Dichloro-5-[(4-methoxyanilino)sulfonyl]benzoic acid

View entire compound with spectra: 2 NMR

2,4-Dichloro-5-[(4-methoxyanilino)sulfonyl]benzoic acid
SpectraBase Compound ID 1LGrD2dwp0n
InChI InChI=1S/C14H11Cl2NO5S/c1-22-9-4-2-8(3-5-9)17-23(20,21)13-6-10(14(18)19)11(15)7-12(13)16/h2-7,17H,1H3,(H,18,19)
InChIKey NRPBJEMEHKHKFB-UHFFFAOYSA-N
Mol Weight 376.21 g/mol
Molecular Formula C14H11Cl2NO5S
Exact Mass 374.973499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3djAwnpmOby
Name 2,4-Dichloro-5-[(4-methoxyanilino)sulfonyl]benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 374.973499027 u
Formula C14H11Cl2NO5S
InChI InChI=1S/C14H11Cl2NO5S/c1-22-9-4-2-8(3-5-9)17-23(20,21)13-6-10(14(18)19)11(15)7-12(13)16/h2-7,17H,1H3,(H,18,19)
InChIKey NRPBJEMEHKHKFB-UHFFFAOYSA-N
Molecular Weight 376.210 g/mol
SMILES N(S(C1=CC(C(=O)O)=C(C=C1Cl)Cl)(=O)=O)C=1C=CC(=CC1)OC