| SpectraBase Compound ID | G8wAgH00796 |
|---|---|
| InChI | InChI=1S/C12H21F3O2/c1-2-3-4-5-6-7-8-9-11(16)17-10-12(13,14)15/h2-10H2,1H3 |
| InChIKey | JCZKMNDMYRZOTQ-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C12H21F3O2 |
| Exact Mass | 254.149364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Agqavrsi5F0 |
|---|---|
| Name | Decanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.149364403 u |
| Formula | C12H21F3O2 |
| InChI | InChI=1S/C12H21F3O2/c1-2-3-4-5-6-7-8-9-11(16)17-10-12(13,14)15/h2-10H2,1H3 |
| InChIKey | JCZKMNDMYRZOTQ-UHFFFAOYSA-N |
| Molecular Weight | 254.293 g/mol |
| SMILES | C(CCCCCCC(=O)OCC(F)(F)F)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866744 |