| SpectraBase Compound ID | Jgu2wLGAOE0 |
|---|---|
| InChI | InChI=1S/C9H6F4O2/c10-7-4-2-1-3-6(7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | LSTCWVISNNEWAM-UHFFFAOYSA-N |
| Mol Weight | 222.14 g/mol |
| Molecular Formula | C9H6F4O2 |
| Exact Mass | 222.030392 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LGGu1z5OT5e |
|---|---|
| Name | o-Fluorobenzyl alcohol, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.030392083 u |
| Formula | C9H6F4O2 |
| InChI | InChI=1S/C9H6F4O2/c10-7-4-2-1-3-6(7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | LSTCWVISNNEWAM-UHFFFAOYSA-N |
| Molecular Weight | 222.139 g/mol |
| SMILES | C(F)(C(=O)OCC1=CC=CC=C1F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.9361 |