| SpectraBase Compound ID | APsin5d1Geh |
|---|---|
| InChI | InChI=1S/C8H9NO5S/c1-2-14-15(12,13)8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | MHGHMVLMYWTSMK-UHFFFAOYSA-N |
| Mol Weight | 231.22 g/mol |
| Molecular Formula | C8H9NO5S |
| Exact Mass | 231.020144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2w8BPjuS7ro |
|---|---|
| Name | Benzenesulfonic acid, 4-nitro-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.020143563 u |
| Formula | C8H9NO5S |
| InChI | InChI=1S/C8H9NO5S/c1-2-14-15(12,13)8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | MHGHMVLMYWTSMK-UHFFFAOYSA-N |
| Molecular Weight | 231.222 g/mol |
| SMILES | CCOS(=O)(=O)C1=CC=C(C=C1)N(=O)=O |