| SpectraBase Compound ID | JJtAkR4QvWG |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-2-3-4-5-6-7-11(13)16-10-8-12(14)15-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6+ |
| InChIKey | ALPZDRMBJNOIPG-VOTSOKGWSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3krTUByUrP |
|---|---|
| Name | 2-Octenoylcarnitine oxylactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-2-3-4-5-6-7-11(13)16-10-8-12(14)15-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6+ |
| InChIKey | ALPZDRMBJNOIPG-VOTSOKGWSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C1(CC(OC(\C=C\CCCCC)=O)CO1)=O |