| SpectraBase Compound ID | HGvl9nFAwdX |
|---|---|
| InChI | InChI=1S/C13H23ClO2/c1-12(2)11-13(15)16-10-8-6-4-3-5-7-9-14/h11H,3-10H2,1-2H3 |
| InChIKey | TWGZIXOWCXUULI-UHFFFAOYSA-N |
| Mol Weight | 246.78 g/mol |
| Molecular Formula | C13H23ClO2 |
| Exact Mass | 246.138658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vS2gV4hqGD |
|---|---|
| Name | 3-Methylbut-2-enoic acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.138657679 u |
| Formula | C13H23ClO2 |
| InChI | InChI=1S/C13H23ClO2/c1-12(2)11-13(15)16-10-8-6-4-3-5-7-9-14/h11H,3-10H2,1-2H3 |
| InChIKey | TWGZIXOWCXUULI-UHFFFAOYSA-N |
| Molecular Weight | 246.778 g/mol |
| SMILES | C(C=C(C)C)(=O)OCCCCCCCCCl |