| SpectraBase Spectrum ID |
8RzuADNCgM6 |
| Name |
Phenylacetic acid, 4-benzyloxy-2-fluoro-.alpha.-hydroxy-5-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.090351741 u |
| Formula |
C16H15FO5 |
| InChI |
InChI=1S/C16H15FO5/c1-21-13-7-11(15(18)16(19)20)12(17)8-14(13)22-9-10-5-3-2-4-6-10/h2-8,15,18H,9H2,1H3,(H,19,20) |
| InChIKey |
RCJKJDAWUDXRDN-UHFFFAOYSA-N |
| Molecular Weight |
306.289 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)C(O)C(O)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972672 |
