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2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
SpectraBase Compound ID 6ZpuPUud8Zi
InChI InChI=1S/C16H14N2O4S2/c1-23-12-6-4-5-11(9-12)17-15(19)10-18-16(20)13-7-2-3-8-14(13)24(18,21)22/h2-9H,10H2,1H3,(H,17,19)
InChIKey SJEWXUVWZOKLHW-UHFFFAOYSA-N
Mol Weight 362.42 g/mol
Molecular Formula C16H14N2O4S2
Exact Mass 362.039499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lf8uRx13GmM
Name 2-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.039499283 u
Formula C16H14N2O4S2
InChI InChI=1S/C16H14N2O4S2/c1-23-12-6-4-5-11(9-12)17-15(19)10-18-16(20)13-7-2-3-8-14(13)24(18,21)22/h2-9H,10H2,1H3,(H,17,19)
InChIKey SJEWXUVWZOKLHW-UHFFFAOYSA-N
Molecular Weight 362.418 g/mol
SMILES N(C(CN1S(C=2C(=CC=CC2)C1=O)(=O)=O)=O)C1=CC(SC)=CC=C1