| SpectraBase Compound ID | 7VoQVwuCtSn |
|---|---|
| InChI | InChI=1S/C13H24Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h12H,2-11H2,1H3 |
| InChIKey | CLUHASIISUFUNQ-UHFFFAOYSA-N |
| Mol Weight | 283.24 g/mol |
| Molecular Formula | C13H24Cl2O2 |
| Exact Mass | 282.115335 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FGoXgcriX9B |
|---|---|
| Name | Dichloroacetic acid, undecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.115335411 u |
| Formula | C13H24Cl2O2 |
| InChI | InChI=1S/C13H24Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h12H,2-11H2,1H3 |
| InChIKey | CLUHASIISUFUNQ-UHFFFAOYSA-N |
| Molecular Weight | 283.239 g/mol |
| SMILES | C(Cl)(Cl)C(=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.961812 |