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Benzeneacetic acid, 2-phenylaminosulfonyl-4,5-dimethoxy-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Benzeneacetic acid, 2-phenylaminosulfonyl-4,5-dimethoxy-
SpectraBase Compound ID 7Mf45lINnv
InChI InChI=1S/C16H17NO6S/c1-22-13-8-11(9-16(18)19)15(10-14(13)23-2)24(20,21)17-12-6-4-3-5-7-12/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKey KCPZHICAGNQKOC-UHFFFAOYSA-N
Mol Weight 351.37 g/mol
Molecular Formula C16H17NO6S
Exact Mass 351.077658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlzkXIbIMWB
Name Benzeneacetic acid, 2-phenylaminosulfonyl-4,5-dimethoxy-
Comments Computed using HOSE algorithm
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Exact Mass 351.077658439 u
Formula C16H17NO6S
InChI InChI=1S/C16H17NO6S/c1-22-13-8-11(9-16(18)19)15(10-14(13)23-2)24(20,21)17-12-6-4-3-5-7-12/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKey KCPZHICAGNQKOC-UHFFFAOYSA-N
Molecular Weight 351.373 g/mol
SMILES C1=CC=CC(=C1)NS(=O)(C1=C(CC(=O)O)C=C(C(OC)=C1)OC)=O