| SpectraBase Compound ID | EzzpdnTNNkA |
|---|---|
| InChI | InChI=1S/C15H10ClNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2 |
| InChIKey | CHHZAPPFOCEMTR-UHFFFAOYSA-N |
| Mol Weight | 335.76 g/mol |
| Molecular Formula | C15H10ClNO4S |
| Exact Mass | 335.001907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bQUhLpMFAh |
|---|---|
| Name | 2-(p-Chlorophenacyl)-1,2-benzisothiazolin-3-one, 1,1-dioxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.001906676 u |
| Formula | C15H10ClNO4S |
| InChI | InChI=1S/C15H10ClNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2 |
| InChIKey | CHHZAPPFOCEMTR-UHFFFAOYSA-N |
| Molecular Weight | 335.761 g/mol |
| SMILES | C1=C(C=CC(=C1)C(CN1S(C=2C=CC=CC2C1=O)(=O)=O)=O)Cl |