| SpectraBase Compound ID | 3CBHSimta53 |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+ |
| InChIKey | YKUOQEJKIPNUEA-VAWYXSNFSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BuDIHGwJwzl |
|---|---|
| Name | 2-Dodecenoic acid, 3-methyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+ |
| InChIKey | YKUOQEJKIPNUEA-VAWYXSNFSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(\C=C\(CCCCCCCCC)C)(=O)O |