| SpectraBase Compound ID | 6345ndsjwtR |
|---|---|
| InChI | InChI=1S/C10H17Cl3O2/c1-4-8(5-7(2)3)6-15-9(14)10(11,12)13/h7-8H,4-6H2,1-3H3 |
| InChIKey | ARLRVCCZBJURFJ-UHFFFAOYSA-N |
| Mol Weight | 275.6 g/mol |
| Molecular Formula | C10H17Cl3O2 |
| Exact Mass | 274.029413 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3KL9Sn0qUhx |
|---|---|
| Name | Trichloroacetic acid, 2-ethyl-4-methylpentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.029412885 u |
| Formula | C10H17Cl3O2 |
| InChI | InChI=1S/C10H17Cl3O2/c1-4-8(5-7(2)3)6-15-9(14)10(11,12)13/h7-8H,4-6H2,1-3H3 |
| InChIKey | ARLRVCCZBJURFJ-UHFFFAOYSA-N |
| SMILES | CC(CC(COC(C(Cl)(Cl)Cl)=O)CC)C |
| Spectrum/Structure Validation Score (Raman) | 0.739546 |