| SpectraBase Compound ID | 4yqRcoF0zX2 |
|---|---|
| InChI | InChI=1S/C15H29ClO2/c1-3-5-6-7-8-9-10-12-14(11-4-2)18-15(17)13-16/h14H,3-13H2,1-2H3 |
| InChIKey | LTBLAYPFSOEFEI-UHFFFAOYSA-N |
| Mol Weight | 276.85 g/mol |
| Molecular Formula | C15H29ClO2 |
| Exact Mass | 276.185608 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3C8duvKkXMt |
|---|---|
| Name | Chloroacetic acid, 4-tridecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.185607872 u |
| Formula | C15H29ClO2 |
| InChI | InChI=1S/C15H29ClO2/c1-3-5-6-7-8-9-10-12-14(11-4-2)18-15(17)13-16/h14H,3-13H2,1-2H3 |
| InChIKey | LTBLAYPFSOEFEI-UHFFFAOYSA-N |
| Molecular Weight | 276.848 g/mol |
| SMILES | CCCC(OC(CCl)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952289 |