| SpectraBase Compound ID | AGe3idu9woE |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-9(14)12(15)7-11(8-13(16)17)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3 |
| InChIKey | KUBLWVHOUZKEHK-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DCZLmJ1GvWW |
|---|---|
| Name | 6-Nitro-5-phenyl-hexane-2,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-9(14)12(15)7-11(8-13(16)17)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3 |
| InChIKey | KUBLWVHOUZKEHK-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C(N(=O)=O)C(CC(C(=O)C)=O)c1ccccc1 |
| SPLASH | splash10-0006-9700000000-919676067b5204ac8ba5 |
| Source of Spectrum | SO-0-246-6 |
| Wiley ID | 873399 |