| SpectraBase Compound ID | 5hzN3wzVZ95 |
|---|---|
| InChI | InChI=1S/C12H8N2O6S/c15-13(16)9-4-6-11(7-5-9)21(19,20)12-3-1-2-10(8-12)14(17)18/h1-8H |
| InChIKey | KNWXNPSGFKKRSL-UHFFFAOYSA-N |
| Mol Weight | 308.26 g/mol |
| Molecular Formula | C12H8N2O6S |
| Exact Mass | 308.010307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TqPdcIWYNT |
|---|---|
| Name | 1-Nitro-3-nosyl-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.010307154 u |
| Formula | C12H8N2O6S |
| InChI | InChI=1S/C12H8N2O6S/c15-13(16)9-4-6-11(7-5-9)21(19,20)12-3-1-2-10(8-12)14(17)18/h1-8H |
| InChIKey | KNWXNPSGFKKRSL-UHFFFAOYSA-N |
| Molecular Weight | 308.264 g/mol |
| SMILES | C=1(S(C2=CC=C(N(=O)=O)C=C2)(=O)=O)C=C(N(=O)=O)C=CC1 |