| SpectraBase Compound ID | 66CCuNZmayz |
|---|---|
| InChI | InChI=1S/C16H14O4S/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | VXZKWVJFIXGRKM-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C16H14O4S |
| Exact Mass | 302.06128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EdvA9fT8erf |
|---|---|
| Name | 2,2''-Sulfonyldiacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.061280101 u |
| Formula | C16H14O4S |
| InChI | InChI=1S/C16H14O4S/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | VXZKWVJFIXGRKM-UHFFFAOYSA-N |
| Molecular Weight | 302.344 g/mol |
| SMILES | C=1C(=CC=CC1)C(CS(=O)(=O)CC(C=1C=CC=CC1)=O)=O |