| SpectraBase Spectrum ID |
HTkaCAuA42 |
| Name |
Phenylethan-1,2-diol, 4-benzyloxy-2-fluoro-5-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.111087186 u |
| Formula |
C16H17FO4 |
| InChI |
InChI=1S/C16H17FO4/c1-20-15-7-12(14(19)9-18)13(17)8-16(15)21-10-11-5-3-2-4-6-11/h2-8,14,18-19H,9-10H2,1H3 |
| InChIKey |
RPUFBNZCHKHVSF-UHFFFAOYSA-N |
| Molecular Weight |
292.306 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)C(CO)O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946425 |
