| SpectraBase Compound ID | BtVkmP2H8Gt |
|---|---|
| InChI | InChI=1S/C8H11F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | WPVXCNORXRSWLS-ONEGZZNKSA-N |
| Mol Weight | 196.17 g/mol |
| Molecular Formula | C8H11F3O2 |
| Exact Mass | 196.071114 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DsCDXGUu7W5 |
|---|---|
| Name | Trans-3-hexen-1-ol, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.071114081 u |
| Formula | C8H11F3O2 |
| InChI | InChI=1S/C8H11F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | WPVXCNORXRSWLS-ONEGZZNKSA-N |
| Molecular Weight | 196.169 g/mol |
| SMILES | C(\C=C\CCOC(C(F)(F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900501 |