| SpectraBase Compound ID | JdHIXn7gtu6 |
|---|---|
| InChI | InChI=1S/C9H7F5O/c1-2-3(15)4-5(10)7(12)9(14)8(13)6(4)11/h3,15H,2H2,1H3 |
| InChIKey | QRHBGWMLUAGPNM-UHFFFAOYSA-N |
| Mol Weight | 226.15 g/mol |
| Molecular Formula | C9H7F5O |
| Exact Mass | 226.041706 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2d7L089g4Ty |
|---|---|
| Name | 1-(2,3,4,5,6-Pentafluorophenyl)-1-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.041705659 u |
| Formula | C9H7F5O |
| InChI | InChI=1S/C9H7F5O/c1-2-3(15)4-5(10)7(12)9(14)8(13)6(4)11/h3,15H,2H2,1H3 |
| InChIKey | QRHBGWMLUAGPNM-UHFFFAOYSA-N |
| Molecular Weight | 226.146 g/mol |
| SMILES | C1(F)=C(C(=C(C(=C1F)F)F)F)C(CC)O |
| Spectrum/Structure Validation Score (Raman) | 0.904329 |