| SpectraBase Compound ID | 6aMMMfeWgJ5 |
|---|---|
| InChI | InChI=1S/C10H7F5O2/c1-4(16)2-17-3-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H2,1H3 |
| InChIKey | FGQDKAFJSFJJLR-UHFFFAOYSA-N |
| Mol Weight | 254.16 g/mol |
| Molecular Formula | C10H7F5O2 |
| Exact Mass | 254.03662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 74Akm1axBkM |
|---|---|
| Name | Pentafluoro(benzyloxy)acetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.036620278 u |
| Formula | C10H7F5O2 |
| InChI | InChI=1S/C10H7F5O2/c1-4(16)2-17-3-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H2,1H3 |
| InChIKey | FGQDKAFJSFJJLR-UHFFFAOYSA-N |
| Molecular Weight | 254.156 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)COCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927961 |