| SpectraBase Compound ID | 7pInjlfQWq7 |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-3-4-13-9(12)6-8(11)5-7(2)10/h3-6H2,1-2H3 |
| InChIKey | YITFQNMQDALSEH-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Z6QLq8XJZm |
|---|---|
| Name | N-Propyl 3,5-dioxohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-3-4-13-9(12)6-8(11)5-7(2)10/h3-6H2,1-2H3 |
| InChIKey | YITFQNMQDALSEH-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(C(=O)OCCC)C(CC(=O)C)=O |