| SpectraBase Compound ID | L5SB2SG03ka |
|---|---|
| InChI | InChI=1S/C8H12O3.C5H10/c1-11-8(10)5-6-2-3-7(9)4-6;1-3-5-4-2/h6H,2-5H2,1H3;3,5H,4H2,1-2H3/b;5-3- |
| InChIKey | BPMLJHJLEUNHGK-PJAIOPLOSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV6mCqTVffx |
|---|---|
| Name | (3-oxo-2-Pent-2-enylcyclopentyl)acetic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C8H12O3.C5H10/c1-11-8(10)5-6-2-3-7(9)4-6;1-3-5-4-2/h6H,2-5H2,1H3;3,5H,4H2,1-2H3/b;5-3- |
| InChIKey | BPMLJHJLEUNHGK-PJAIOPLOSA-N |
| Molecular Weight | 226.316 g/mol |
| Nominal Mass | 226 u |
| SMILES | C\C=C/CC.C1CC(CC1=O)CC(OC)=O |