| SpectraBase Compound ID | EbT4SSSfZPF |
|---|---|
| InChI | InChI=1S/C13H9NO6S/c15-9-10-3-1-2-4-13(10)20-21(18,19)12-7-5-11(6-8-12)14(16)17/h1-9H |
| InChIKey | CSJAODIVMYAFOI-UHFFFAOYSA-N |
| Mol Weight | 307.28 g/mol |
| Molecular Formula | C13H9NO6S |
| Exact Mass | 307.015058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tWW6pPWAM4 |
|---|---|
| Name | 2-Formylphenyl 4-nitrobenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.015058182 u |
| Formula | C13H9NO6S |
| InChI | InChI=1S/C13H9NO6S/c15-9-10-3-1-2-4-13(10)20-21(18,19)12-7-5-11(6-8-12)14(16)17/h1-9H |
| InChIKey | CSJAODIVMYAFOI-UHFFFAOYSA-N |
| Molecular Weight | 307.276 g/mol |
| SMILES | C1(S(OC2=C(C=O)C=CC=C2)(=O)=O)=CC=C(C=C1)N(=O)=O |