| SpectraBase Compound ID | B0lJen08BwR |
|---|---|
| InChI | InChI=1S/C9H15F3O2/c1-3-5-6-7(4-2)14-8(13)9(10,11)12/h7H,3-6H2,1-2H3 |
| InChIKey | ISBQSSHMLYEHKL-UHFFFAOYSA-N |
| Mol Weight | 212.21 g/mol |
| Molecular Formula | C9H15F3O2 |
| Exact Mass | 212.102414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LetldOA5b5N |
|---|---|
| Name | Trifluoroacetic acid, 3-heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.102414210 u |
| Formula | C9H15F3O2 |
| InChI | InChI=1S/C9H15F3O2/c1-3-5-6-7(4-2)14-8(13)9(10,11)12/h7H,3-6H2,1-2H3 |
| InChIKey | ISBQSSHMLYEHKL-UHFFFAOYSA-N |
| Molecular Weight | 212.212 g/mol |
| SMILES | C(F)(F)(F)C(OC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.946497 |