| SpectraBase Compound ID | LsMIWN093D6 |
|---|---|
| InChI | InChI=1S/C10H7F3O3/c1-6(14)7-2-4-8(5-3-7)16-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | UXWGCFVHORMHCS-UHFFFAOYSA-N |
| Mol Weight | 232.16 g/mol |
| Molecular Formula | C10H7F3O3 |
| Exact Mass | 232.034729 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CzgNKpGgV0D |
|---|---|
| Name | 4-Acetylphenyl 2,2,2-trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.034728571 u |
| Formula | C10H7F3O3 |
| InChI | InChI=1S/C10H7F3O3/c1-6(14)7-2-4-8(5-3-7)16-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | UXWGCFVHORMHCS-UHFFFAOYSA-N |
| Molecular Weight | 232.158 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C(C)=O)(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981966 |