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2-Diphenylacetyl-benzisothiazolinone-1,1-dioxide

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2-Diphenylacetyl-benzisothiazolinone-1,1-dioxide
SpectraBase Compound ID GLNX0mXAsB4
InChI InChI=1S/C21H15NO4S/c23-20-17-13-7-8-14-18(17)27(25,26)22(20)21(24)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKey RAYNWOPTDCALQS-UHFFFAOYSA-N
Mol Weight 377.41 g/mol
Molecular Formula C21H15NO4S
Exact Mass 377.072179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYmmbWY0PTN
Name 2-Diphenylacetyl-benzisothiazolinone-1,1-dioxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.072179137 u
Formula C21H15NO4S
InChI InChI=1S/C21H15NO4S/c23-20-17-13-7-8-14-18(17)27(25,26)22(20)21(24)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKey RAYNWOPTDCALQS-UHFFFAOYSA-N
Molecular Weight 377.414 g/mol
SMILES C12=C(C=CC=C2)C(=O)N(S1(=O)=O)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1