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N-(2,4-dichlorobenzyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide

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N-(2,4-dichlorobenzyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
SpectraBase Compound ID 2ZcSRtKSRZU
InChI InChI=1S/C16H12Cl2N2O4S/c17-11-6-5-10(13(18)7-11)8-19-15(21)9-20-16(22)12-3-1-2-4-14(12)25(20,23)24/h1-7H,8-9H2,(H,19,21)
InChIKey HMOJDMYKFDWLHP-UHFFFAOYSA-N
Mol Weight 399.25 g/mol
Molecular Formula C16H12Cl2N2O4S
Exact Mass 397.989483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NI5nq6mn5W
Name N-(2,4-Dichlorobenzyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.989483444 u
Formula C16H12Cl2N2O4S
InChI InChI=1S/C16H12Cl2N2O4S/c17-11-6-5-10(13(18)7-11)8-19-15(21)9-20-16(22)12-3-1-2-4-14(12)25(20,23)24/h1-7H,8-9H2,(H,19,21)
InChIKey HMOJDMYKFDWLHP-UHFFFAOYSA-N
Molecular Weight 399.248 g/mol
SMILES N(C(CN1S(C=2C(=CC=CC2)C1=O)(=O)=O)=O)CC1=C(C=C(C=C1)Cl)Cl