| SpectraBase Compound ID | BR28J3BZME4 |
|---|---|
| InChI | InChI=1S/C7H6ClNO5S/c8-5-15(12,13)14-7-3-1-6(2-4-7)9(10)11/h1-4H,5H2 |
| InChIKey | USWDADUAAHTWFA-UHFFFAOYSA-N |
| Mol Weight | 251.64 g/mol |
| Molecular Formula | C7H6ClNO5S |
| Exact Mass | 250.965521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DocAhcNoO6r |
|---|---|
| Name | p-Nitrophenyl chloromethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.965521166 u |
| Formula | C7H6ClNO5S |
| InChI | InChI=1S/C7H6ClNO5S/c8-5-15(12,13)14-7-3-1-6(2-4-7)9(10)11/h1-4H,5H2 |
| InChIKey | USWDADUAAHTWFA-UHFFFAOYSA-N |
| SMILES | C1(OS(=O)(=O)CCl)=CC=C(N(=O)=O)C=C1 |