| SpectraBase Spectrum ID |
KYVFIW9a5Ye |
| Name |
Phenylacetic acid, 2-fluoro-4,.alpha.-dihydroxy-5-methoxy-, ethyl(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.074701677 u |
| Formula |
C11H13FO5 |
| InChI |
InChI=1S/C11H13FO5/c1-3-17-11(15)10(14)6-4-9(16-2)8(13)5-7(6)12/h4-5,10,13-14H,3H2,1-2H3 |
| InChIKey |
VJYISGPXFBEQQE-UHFFFAOYSA-N |
| Molecular Weight |
244.218 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)O)OC)C(O)C(OCC)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818461 |
