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1,2-benzisothiazol-3(2H)-one, 2-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]methyl]-, 1,1-dioxide

View entire compound with spectra: 2 NMR

1,2-benzisothiazol-3(2H)-one, 2-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]methyl]-, 1,1-dioxide
SpectraBase Compound ID 2KezSWyNA4B
InChI InChI=1S/C15H10ClN5O3S/c16-10-5-7-11(8-6-10)21-14(17-18-19-21)9-20-15(22)12-3-1-2-4-13(12)25(20,23)24/h1-8H,9H2
InChIKey LOVHQGRYDMCSDE-UHFFFAOYSA-N
Mol Weight 375.79 g/mol
Molecular Formula C15H10ClN5O3S
Exact Mass 375.019288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTgGGGIxN8O
Name 1,2-Benzisothiazol-3(2H)-one, 2-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]methyl]-, 1,1-dioxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.019288073 u
Formula C15H10ClN5O3S
InChI InChI=1S/C15H10ClN5O3S/c16-10-5-7-11(8-6-10)21-14(17-18-19-21)9-20-15(22)12-3-1-2-4-13(12)25(20,23)24/h1-8H,9H2
InChIKey LOVHQGRYDMCSDE-UHFFFAOYSA-N
Molecular Weight 375.790 g/mol
SMILES C=1C=CC2=C(S(N(C2=O)CC=2N(N=NN2)C=2C=CC(=CC2)Cl)(=O)=O)C1