| SpectraBase Compound ID | KY4oeotsMhz |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-3-11(14)8(2)12(15)9-6-4-5-7-10(9)13(16)17/h4-8H,3H2,1-2H3 |
| InChIKey | SJIDOBWYFLUZNQ-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 | 1XcPnNt73LZ |
|---|---|
| Name | 2-Methyl-1-(2-nitrophenyl)pentane-1,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-3-11(14)8(2)12(15)9-6-4-5-7-10(9)13(16)17/h4-8H,3H2,1-2H3 |
| InChIKey | SJIDOBWYFLUZNQ-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | c1(N(=O)=O)c(C(C(C(=O)CC)C)=O)cccc1 |
| SPLASH | splash10-0zi0-9400000000-ab60c6778004da83dc25 |
| Source of Spectrum | F-65-9303-3e |
| Wiley ID | 1678988 |