| SpectraBase Compound ID | CGcWh40YtYB |
|---|---|
| InChI | InChI=1S/C7H11NO4/c1-5(8(11)12)3-4-7(10)6(2)9/h5H,3-4H2,1-2H3 |
| InChIKey | IRNQUEDGEUFKAZ-UHFFFAOYSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C7H11NO4 |
| Exact Mass | 173.068808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FiejnAd6sgb |
|---|---|
| Name | 6-Nitroheptane-2,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c1-5(8(11)12)3-4-7(10)6(2)9/h5H,3-4H2,1-2H3 |
| InChIKey | IRNQUEDGEUFKAZ-UHFFFAOYSA-N |
| Molecular Weight | 173.168 g/mol |
| SMILES | C(N(=O)=O)(CCC(C(=O)C)=O)C |
| SPLASH | splash10-0296-9400000000-f42f6332bde30625e294 |
| Source of Spectrum | SO-0-245-6 |
| Wiley ID | 873403 |