| SpectraBase Compound ID | 20Xhcw1Jsht |
|---|---|
| InChI | InChI=1S/C17H29ClO2/c1-2-3-4-5-6-7-8-9-10-13-16-20-17(19)14-11-12-15-18/h2,5-16H2,1H3 |
| InChIKey | RUPFATUHMIZGOQ-UHFFFAOYSA-N |
| Mol Weight | 300.87 g/mol |
| Molecular Formula | C17H29ClO2 |
| Exact Mass | 300.185608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MlD9Lldp4Y |
|---|---|
| Name | 5-Chlorovaleric acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.185607872 u |
| Formula | C17H29ClO2 |
| InChI | InChI=1S/C17H29ClO2/c1-2-3-4-5-6-7-8-9-10-13-16-20-17(19)14-11-12-15-18/h2,5-16H2,1H3 |
| InChIKey | RUPFATUHMIZGOQ-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCCCC#CCC)(=O)CCCCCl |