| SpectraBase Compound ID | 8N1hQ9xdB3n |
|---|---|
| InChI | InChI=1S/C10H13FO3/c11-9-3-1-8(2-4-9)10(5-12,6-13)7-14/h1-4,12-14H,5-7H2 |
| InChIKey | SWALILLSVQXFBV-UHFFFAOYSA-N |
| Mol Weight | 200.21 g/mol |
| Molecular Formula | C10H13FO3 |
| Exact Mass | 200.084872 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8LHpg9LEuys |
|---|---|
| Name | 1,3-Propanediol, 2-(4-fluorophenyl)-2-(hydroxymethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.084872439 u |
| Formula | C10H13FO3 |
| InChI | InChI=1S/C10H13FO3/c11-9-3-1-8(2-4-9)10(5-12,6-13)7-14/h1-4,12-14H,5-7H2 |
| InChIKey | SWALILLSVQXFBV-UHFFFAOYSA-N |
| Molecular Weight | 200.209 g/mol |
| SMILES | OCC(CO)(C1=CC=C(C=C1)F)CO |
| Spectrum/Structure Validation Score (Raman) | 0.817959 |