| SpectraBase Compound ID | LLW1KEEHFNH |
|---|---|
| InChI | InChI=1S/C9H7NO5/c11-7-4-14-8-2-1-6(10(12)13)3-9(8)15-5-7/h1-3H,4-5H2 |
| InChIKey | YUFCJZDRNYEWNT-UHFFFAOYSA-N |
| Mol Weight | 209.16 g/mol |
| Molecular Formula | C9H7NO5 |
| Exact Mass | 209.032422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZOPEy7vagw |
|---|---|
| Name | 7-Nitro-1,5-benzodioxepin-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.032422324 u |
| Formula | C9H7NO5 |
| InChI | InChI=1S/C9H7NO5/c11-7-4-14-8-2-1-6(10(12)13)3-9(8)15-5-7/h1-3H,4-5H2 |
| InChIKey | YUFCJZDRNYEWNT-UHFFFAOYSA-N |
| Molecular Weight | 209.157 g/mol |
| SMILES | C1OC=2C(OCC1=O)=CC(=CC2)N(=O)=O |