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Benzoic acid, 2-(aminosulfonyl)-6-chloro-, 1-methylethyl ester
SpectraBase Compound ID KkovGs2q2ZR
InChI InChI=1S/C10H12ClNO4S/c1-6(2)16-10(13)9-7(11)4-3-5-8(9)17(12,14)15/h3-6H,1-2H3,(H2,12,14,15)
InChIKey UCUUOTCLCHPTTJ-UHFFFAOYSA-N
Mol Weight 277.72 g/mol
Molecular Formula C10H12ClNO4S
Exact Mass 277.017557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ptao2rFZI
Name Benzoic acid, 2-(aminosulfonyl)-6-chloro-, 1-methylethyl ester; benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 277.017556740 u
Formula C10H12ClNO4S
InChI InChI=1S/C10H12ClNO4S/c1-6(2)16-10(13)9-7(11)4-3-5-8(9)17(12,14)15/h3-6H,1-2H3,(H2,12,14,15)
InChIKey UCUUOTCLCHPTTJ-UHFFFAOYSA-N
Molecular Weight 277.722 g/mol
SMILES NS(C1=C(C(=CC=C1)Cl)C(OC(C)C)=O)(=O)=O