| SpectraBase Compound ID | 4Z69WiR0FJ1 |
|---|---|
| InChI | InChI=1S/C16H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-15(2)19-16(18)13-14-17/h15H,3-14H2,1-2H3 |
| InChIKey | AFEITVZQONVCEQ-UHFFFAOYSA-N |
| Mol Weight | 290.88 g/mol |
| Molecular Formula | C16H31ClO2 |
| Exact Mass | 290.201258 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ax4HIWJdNmV |
|---|---|
| Name | 3-Chloropropionic acid, 2-tridecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.201257936 u |
| Formula | C16H31ClO2 |
| InChI | InChI=1S/C16H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-15(2)19-16(18)13-14-17/h15H,3-14H2,1-2H3 |
| InChIKey | AFEITVZQONVCEQ-UHFFFAOYSA-N |
| SMILES | C(Cl)CC(=O)OC(C)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897363 |