| SpectraBase Spectrum ID |
CDJUEyOKNCS |
| Name |
(S)-1-(4-Fluorophenoxy)-2-propanol, o-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.084872439 u |
| Formula |
C11H13FO3 |
| InChI |
InChI=1S/C11H13FO3/c1-8(15-9(2)13)7-14-11-5-3-10(12)4-6-11/h3-6,8H,7H2,1-2H3/t8-/m0/s1 |
| InChIKey |
XNNQZIULAGYVBH-QMMMGPOBSA-N |
| Molecular Weight |
212.220 g/mol |
| SMILES |
C1(F)=CC=C(C=C1)OC[C@@](OC(=O)C)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902712 |
