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2-(4-chlorophenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide

View entire compound with spectra: 2 NMR

2-(4-chlorophenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide
SpectraBase Compound ID FHZGNARuwFf
InChI InChI=1S/C16H13ClN2O3S2/c1-24(21,22)12-6-7-13-14(9-12)23-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKey IXEMZIMABFJKGL-UHFFFAOYSA-N
Mol Weight 380.86 g/mol
Molecular Formula C16H13ClN2O3S2
Exact Mass 380.005612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AtAOpIExw4t
Name 2-(4-Chlorophenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.005612332 u
Formula C16H13ClN2O3S2
InChI InChI=1S/C16H13ClN2O3S2/c1-24(21,22)12-6-7-13-14(9-12)23-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKey IXEMZIMABFJKGL-UHFFFAOYSA-N
Molecular Weight 380.864 g/mol
SMILES N(C1=NC2=CC=C(S(=O)(=O)C)C=C2S1)C(=O)CC=1C=CC(=CC1)Cl