| SpectraBase Compound ID | 3cxNIWNgpFD |
|---|---|
| InChI | InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18/h2-16H2,1H3 |
| InChIKey | XBKHDMYQIADJLJ-UHFFFAOYSA-N |
| Mol Weight | 304.9 g/mol |
| Molecular Formula | C17H33ClO2 |
| Exact Mass | 304.216908 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GXwJZ318Eee |
|---|---|
| Name | Chloroacetic acid, pentadecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.216908001 u |
| Formula | C17H33ClO2 |
| InChI | InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18/h2-16H2,1H3 |
| InChIKey | XBKHDMYQIADJLJ-UHFFFAOYSA-N |
| Molecular Weight | 304.902 g/mol |
| SMILES | CCCCCCCCCCCCCCCOC(=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929938 |