| SpectraBase Spectrum ID |
JifRL8xfHFr |
| Name |
Benzenethanamine, 4,5-dibenzyloxy-2-fluoro-.beta.-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.158371732 u |
| Formula |
C22H22FNO3 |
| InChI |
InChI=1S/C22H22FNO3/c23-19-12-22(27-15-17-9-5-2-6-10-17)21(11-18(19)20(25)13-24)26-14-16-7-3-1-4-8-16/h1-12,20,25H,13-15,24H2 |
| InChIKey |
HNOPMGQPKHBDRQ-UHFFFAOYSA-N |
| Molecular Weight |
367.420 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C(CN)O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951946 |
