| SpectraBase Compound ID | ChSzdntkSqP |
|---|---|
| InChI | InChI=1S/C6H10Cl2O2/c1-3-4(2)10-6(9)5(7)8/h4-5H,3H2,1-2H3 |
| InChIKey | IQYVZHJFEAIITM-UHFFFAOYSA-N |
| Mol Weight | 185.05 g/mol |
| Molecular Formula | C6H10Cl2O2 |
| Exact Mass | 184.005785 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4fgFRkxagtg |
|---|---|
| Name | Dichloroacetic acid, sec-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.005784960 u |
| Formula | C6H10Cl2O2 |
| InChI | InChI=1S/C6H10Cl2O2/c1-3-4(2)10-6(9)5(7)8/h4-5H,3H2,1-2H3 |
| InChIKey | IQYVZHJFEAIITM-UHFFFAOYSA-N |
| Molecular Weight | 185.050 g/mol |
| SMILES | C(C(OC(C(Cl)Cl)=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.940756 |