| SpectraBase Compound ID | JW2p54TlYRD |
|---|---|
| InChI | InChI=1S/C8H13NO4/c1-3-7(10)8(11)5-4-6(2)9(12)13/h6H,3-5H2,1-2H3 |
| InChIKey | LLDIQDOWTKJBAD-UHFFFAOYSA-N |
| Mol Weight | 187.19 g/mol |
| Molecular Formula | C8H13NO4 |
| Exact Mass | 187.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fn6xuuCdppS |
|---|---|
| Name | 7-Nitrooctane-3,4-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H13NO4 |
| InChI | InChI=1S/C8H13NO4/c1-3-7(10)8(11)5-4-6(2)9(12)13/h6H,3-5H2,1-2H3 |
| InChIKey | LLDIQDOWTKJBAD-UHFFFAOYSA-N |
| Molecular Weight | 187.195 g/mol |
| SMILES | C(N(=O)=O)(CCC(C(=O)CC)=O)C |
| SPLASH | splash10-052b-9100000000-15426ad111a149258583 |
| Source of Spectrum | KC-1991-1648-11 |
| Synonyms | 7-Nitro-3,4-octanedione |
| Wiley ID | 1183680 |