![9-Nitro-2,5-dihydrobenzo[b]oxepine](/api/spectrum/4bZ78tEiwVW/structure.png?h=300&w=458 "9-Nitro-2,5-dihydrobenzo[b]oxepine")
| SpectraBase Compound ID | 9l7qOoENKFB |
|---|---|
| InChI | InChI=1S/C10H9NO3/c12-11(13)9-6-3-5-8-4-1-2-7-14-10(8)9/h1-3,5-6H,4,7H2 |
| InChIKey | NRRAFRWUOLEIJO-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4bZ78tEiwVW |
|---|---|
| Name | 9-Nitro-2,5-dihydrobenzo[b]oxepine |
| Alternate Name(s) | 9-Nitro-2,5-dihydro-1-benzoxepin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c12-11(13)9-6-3-5-8-4-1-2-7-14-10(8)9/h1-3,5-6H,4,7H2 |
| InChIKey | NRRAFRWUOLEIJO-UHFFFAOYSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | c12OCC=CCc2cccc1N(=O)=O |
| SPLASH | splash10-00kf-1900000000-6e91128afa2c3e512d12 |
| Source of Spectrum | O1-57-2008-6 |
| Wiley ID | 1591714 |