| SpectraBase Compound ID | 6NBhINW3iPr |
|---|---|
| InChI | InChI=1S/C9H17FO2/c1-4-5-6-7(10)8(11)9(2,3)12/h7,12H,4-6H2,1-3H3 |
| InChIKey | DWVPUYGKFCBYRZ-UHFFFAOYSA-N |
| Mol Weight | 176.23 g/mol |
| Molecular Formula | C9H17FO2 |
| Exact Mass | 176.121258 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dut7LHPCjCt |
|---|---|
| Name | 3-Octanone, 4-fluoro-2-hydroxy-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.121257948 u |
| Formula | C9H17FO2 |
| InChI | InChI=1S/C9H17FO2/c1-4-5-6-7(10)8(11)9(2,3)12/h7,12H,4-6H2,1-3H3 |
| InChIKey | DWVPUYGKFCBYRZ-UHFFFAOYSA-N |
| Molecular Weight | 176.231 g/mol |
| SMILES | C(C(O)(C)C)(=O)C(F)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825255 |