| SpectraBase Compound ID | 2VyciFaW0rY |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3 |
| InChIKey | NLDFWNCRMVSDMC-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwQyL3UxsTY |
|---|---|
| Name | Pentanoic acid, 4-oxo-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3 |
| InChIKey | NLDFWNCRMVSDMC-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | CC(CCC(OCCCCC)=O)=O |