| SpectraBase Compound ID | 2oHp46WsWyL |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h8,10H,5-7H2,1-4H3 |
| InChIKey | PISGMHLBJJGKRM-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oHiqUIYZ5N |
|---|---|
| Name | Hexanoic acid, 2-acetyl-5-methyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h8,10H,5-7H2,1-4H3 |
| InChIKey | PISGMHLBJJGKRM-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | CC(CCC(C(OCC)=O)C(C)=O)C |