| SpectraBase Spectrum ID |
1KkivU9HhPw |
| Name |
Phenethylamine, 3-benzyloxy-4-fluoro-.beta.-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.116506920 u |
| Formula |
C15H16FNO2 |
| InChI |
InChI=1S/C15H16FNO2/c16-13-7-6-12(14(18)9-17)8-15(13)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10,17H2 |
| InChIKey |
LBXBEDXTBAXUPP-UHFFFAOYSA-N |
| Molecular Weight |
261.296 g/mol |
| SMILES |
C1=C(C=C(C(=C1)F)OCC1=CC=CC=C1)C(CN)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947707 |
