| SpectraBase Compound ID | wWxcW8JhAC |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-5-6-7-8-9-11(13(15)17-4)10(2)12(14)16-3/h11H,2,5-9H2,1,3-4H3 |
| InChIKey | SBUJGPJCFCODFO-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yUJUKrekuI |
|---|---|
| Name | 3-Methoxycarbonyl-2-methylidenenonanoic acid, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-5-6-7-8-9-11(13(15)17-4)10(2)12(14)16-3/h11H,2,5-9H2,1,3-4H3 |
| InChIKey | SBUJGPJCFCODFO-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(C(C(CCCCCC)C(OC)=O)=C)(OC)=O |