| SpectraBase Compound ID | HCDDStfo3yh |
|---|---|
| InChI | InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13/h10H,2-9H2,1H3 |
| InChIKey | XKMMRMJBZDCIHI-UHFFFAOYSA-N |
| Mol Weight | 255.18 g/mol |
| Molecular Formula | C11H20Cl2O2 |
| Exact Mass | 254.084035 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 47gCEzMnfG2 |
|---|---|
| Name | Dichloroacetic acid, nonyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.084035282 u |
| Formula | C11H20Cl2O2 |
| InChI | InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13/h10H,2-9H2,1H3 |
| InChIKey | XKMMRMJBZDCIHI-UHFFFAOYSA-N |
| Molecular Weight | 255.185 g/mol |
| SMILES | C(OC(C(Cl)Cl)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.960278 |