| SpectraBase Compound ID | 5gbWVVFSt1C |
|---|---|
| InChI | InChI=1S/C14H26Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)13(15)16/h13H,2-12H2,1H3 |
| InChIKey | XOWWGPRKFWEEDR-UHFFFAOYSA-N |
| Mol Weight | 297.27 g/mol |
| Molecular Formula | C14H26Cl2O2 |
| Exact Mass | 296.130985 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6p7iWZ8lBgf |
|---|---|
| Name | Dichloroacetic acid, dodecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.130985475 u |
| Formula | C14H26Cl2O2 |
| InChI | InChI=1S/C14H26Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)13(15)16/h13H,2-12H2,1H3 |
| InChIKey | XOWWGPRKFWEEDR-UHFFFAOYSA-N |
| SMILES | C(OC(C(Cl)Cl)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.975021 |