| SpectraBase Compound ID | 3XEbWv4a7Kj |
|---|---|
| InChI | InChI=1S/C14H27ClO2/c1-3-13(4-2)14(16)17-12-10-8-6-5-7-9-11-15/h13H,3-12H2,1-2H3 |
| InChIKey | PFHBSVMEHNCJCV-UHFFFAOYSA-N |
| Mol Weight | 262.82 g/mol |
| Molecular Formula | C14H27ClO2 |
| Exact Mass | 262.169958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YqaIHnetu4 |
|---|---|
| Name | 2-Ethylbutyric acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.169957807 u |
| Formula | C14H27ClO2 |
| InChI | InChI=1S/C14H27ClO2/c1-3-13(4-2)14(16)17-12-10-8-6-5-7-9-11-15/h13H,3-12H2,1-2H3 |
| InChIKey | PFHBSVMEHNCJCV-UHFFFAOYSA-N |
| Molecular Weight | 262.821 g/mol |
| SMILES | C(C(OCCCCCCCCCl)=O)(CC)CC |