| SpectraBase Compound ID | KyivmYrvuTc |
|---|---|
| InChI | InChI=1S/C10H17F3O2/c1-5-6-7(9(2,3)4)15-8(14)10(11,12)13/h7H,5-6H2,1-4H3 |
| InChIKey | NBSZFQXDLMMQAI-UHFFFAOYSA-N |
| Mol Weight | 226.24 g/mol |
| Molecular Formula | C10H17F3O2 |
| Exact Mass | 226.118064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6TWCC7vBPE8 |
|---|---|
| Name | Trifluoroacetic acid, 2,2-dimethyl-3-hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.118064274 u |
| Formula | C10H17F3O2 |
| InChI | InChI=1S/C10H17F3O2/c1-5-6-7(9(2,3)4)15-8(14)10(11,12)13/h7H,5-6H2,1-4H3 |
| InChIKey | NBSZFQXDLMMQAI-UHFFFAOYSA-N |
| Molecular Weight | 226.239 g/mol |
| SMILES | C(F)(F)(F)C(OC(CCC)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.955301 |