| SpectraBase Compound ID | 8jQqmnWdjbR |
|---|---|
| InChI | InChI=1S/C10H15NO4/c1-8(12)5-7-10(11(14)15)6-3-2-4-9(10)13/h2-7H2,1H3 |
| InChIKey | QDYDLCCYDMTWCU-UHFFFAOYSA-N |
| Mol Weight | 213.23 g/mol |
| Molecular Formula | C10H15NO4 |
| Exact Mass | 213.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Tl5bwFlaix |
|---|---|
| Name | Cyclohexanone, 2-nitro-2-(3-oxobutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.100107963 u |
| Formula | C10H15NO4 |
| InChI | InChI=1S/C10H15NO4/c1-8(12)5-7-10(11(14)15)6-3-2-4-9(10)13/h2-7H2,1H3 |
| InChIKey | QDYDLCCYDMTWCU-UHFFFAOYSA-N |
| Molecular Weight | 213.233 g/mol |
| SMILES | C1(N(=O)=O)(C(=O)CCCC1)CCC(=O)C |