| SpectraBase Compound ID | Ao5YnrYoXX5 |
|---|---|
| InChI | InChI=1S/C9H8N2O4/c12-9-5-15-8-2-1-7(11(13)14)3-6(8)4-10-9/h1-3H,4-5H2,(H,10,12) |
| InChIKey | GPWQCPJNIXBZCX-UHFFFAOYSA-N |
| Mol Weight | 208.17 g/mol |
| Molecular Formula | C9H8N2O4 |
| Exact Mass | 208.048407 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1a4Z8HghFXb |
|---|---|
| Name | 7-Nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8N2O4 |
| InChI | InChI=1S/C9H8N2O4/c12-9-5-15-8-2-1-7(11(13)14)3-6(8)4-10-9/h1-3H,4-5H2,(H,10,12) |
| InChIKey | GPWQCPJNIXBZCX-UHFFFAOYSA-N |
| Molecular Weight | 208.173 g/mol |
| SMILES | N1C(COc2ccc(cc2C1)N(=O)=O)=O |
| SPLASH | splash10-0gw0-9200000000-01cdb90a68f57837da1a |
| Synonyms | 7-Nitro-4,5-dihydro-1,4-benzoxazepin-3-one |
| Wiley ID | 1511209 |