| SpectraBase Compound ID | B3kiEdQ9Krw |
|---|---|
| InChI | InChI=1S/C18H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-18(20)15-12-13-16-19/h2-10,12-13,15-17H2,1H3 |
| InChIKey | IWBWGAOOVXOGLS-UHFFFAOYSA-N |
| Mol Weight | 314.9 g/mol |
| Molecular Formula | C18H31ClO2 |
| Exact Mass | 314.201258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | y666Zah87V |
|---|---|
| Name | 5-Chlorovaleric acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.201257936 u |
| Formula | C18H31ClO2 |
| InChI | InChI=1S/C18H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-18(20)15-12-13-16-19/h2-10,12-13,15-17H2,1H3 |
| InChIKey | IWBWGAOOVXOGLS-UHFFFAOYSA-N |
| Molecular Weight | 314.897 g/mol |
| SMILES | C(=O)(OCC#CCCCCCCCCCC)CCCCCl |