| SpectraBase Spectrum ID |
3PSsemE3XRt |
| Name |
Phenylethan-1,2-diol, 2-fluoro-4-hydroxy-5-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.064136993 u |
| Formula |
C9H11FO4 |
| InChI |
InChI=1S/C9H11FO4/c1-14-9-2-5(8(13)4-11)6(10)3-7(9)12/h2-3,8,11-13H,4H2,1H3 |
| InChIKey |
KNKPJHRFJWCVTE-UHFFFAOYSA-N |
| Molecular Weight |
202.181 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)O)OC)C(O)CO)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964352 |
