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1,2-Benzisothiazol-3(2H)-one, 2-[2-(3-nitrophenyl)-2-oxoethyl]-, 1,1-dioxide

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

1,2-Benzisothiazol-3(2H)-one, 2-[2-(3-nitrophenyl)-2-oxoethyl]-, 1,1-dioxide
SpectraBase Compound ID 7RrVO2CgvU7
InChI InChI=1S/C15H10N2O6S/c18-13(10-4-3-5-11(8-10)17(20)21)9-16-15(19)12-6-1-2-7-14(12)24(16,22)23/h1-8H,9H2
InChIKey MJNSJPIZSKKMQC-UHFFFAOYSA-N
Mol Weight 346.31 g/mol
Molecular Formula C15H10N2O6S
Exact Mass 346.025957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mRKChrELOK
Name 1,2-Benzisothiazol-3(2H)-one, 2-[2-(3-nitrophenyl)-2-oxoethyl]-, 1,1-dioxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.025957218 u
Formula C15H10N2O6S
InChI InChI=1S/C15H10N2O6S/c18-13(10-4-3-5-11(8-10)17(20)21)9-16-15(19)12-6-1-2-7-14(12)24(16,22)23/h1-8H,9H2
InChIKey MJNSJPIZSKKMQC-UHFFFAOYSA-N
Molecular Weight 346.313 g/mol
SMILES C(=O)(CN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=CC=CC(=C1)N(=O)=O