| SpectraBase Compound ID | IuNS2SzXxGm |
|---|---|
| InChI | InChI=1S/C15H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15(17)12-13-16/h2,5-14H2,1H3 |
| InChIKey | NVPXESGYWQLXPZ-UHFFFAOYSA-N |
| Mol Weight | 272.82 g/mol |
| Molecular Formula | C15H25ClO2 |
| Exact Mass | 272.154308 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HBnAAfIcMbU |
|---|---|
| Name | 3-Chloropropionic acid, dodec-9-ynyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.154307743 u |
| Formula | C15H25ClO2 |
| InChI | InChI=1S/C15H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15(17)12-13-16/h2,5-14H2,1H3 |
| InChIKey | NVPXESGYWQLXPZ-UHFFFAOYSA-N |
| SMILES | C(CCCC#CCC)CCCCOC(=O)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940224 |