| SpectraBase Compound ID | H3FlIneUdb5 |
|---|---|
| InChI | InChI=1S/C14H10ClNO3S/c15-12-7-3-1-5-10(12)9-16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H,9H2 |
| InChIKey | ZLHBHSQWKMFYME-UHFFFAOYSA-N |
| Mol Weight | 307.75 g/mol |
| Molecular Formula | C14H10ClNO3S |
| Exact Mass | 307.006992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOVMrZtxJJJ |
|---|---|
| Name | 2-(2-Chlorobenzyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.006992057 u |
| Formula | C14H10ClNO3S |
| InChI | InChI=1S/C14H10ClNO3S/c15-12-7-3-1-5-10(12)9-16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H,9H2 |
| InChIKey | ZLHBHSQWKMFYME-UHFFFAOYSA-N |
| Molecular Weight | 307.751 g/mol |
| SMILES | C=1C=CC(CN2S(C=3C(=CC=CC3)C2=O)(=O)=O)=C(Cl)C1 |