| SpectraBase Compound ID | FtDxl0I2PzB |
|---|---|
| InChI | InChI=1S/C16H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16(18)13-14-17/h2-10,13-15H2,1H3 |
| InChIKey | FWHBIDZGLNVDFD-UHFFFAOYSA-N |
| Mol Weight | 286.84 g/mol |
| Molecular Formula | C16H27ClO2 |
| Exact Mass | 286.169958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrqkWqbB7X4 |
|---|---|
| Name | 3-Chloropropionic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.169957807 u |
| Formula | C16H27ClO2 |
| InChI | InChI=1S/C16H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16(18)13-14-17/h2-10,13-15H2,1H3 |
| InChIKey | FWHBIDZGLNVDFD-UHFFFAOYSA-N |
| Molecular Weight | 286.843 g/mol |
| SMILES | CCCCCCCCCCC#CCOC(CCCl)=O |