| SpectraBase Spectrum ID |
FGCOtr3ojbs |
| Name |
Benzeneethanamine, 4-benzyloxy-3-fluoro-.beta.-hydroxy-5-methoxy-N-methyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.142721668 u |
| Formula |
C17H20FNO3 |
| InChI |
InChI=1S/C17H20FNO3/c1-19-10-15(20)13-8-14(18)17(16(9-13)21-2)22-11-12-6-4-3-5-7-12/h3-9,15,19-20H,10-11H2,1-2H3 |
| InChIKey |
SQDUKJIDCRFJND-UHFFFAOYSA-N |
| Molecular Weight |
305.349 g/mol |
| SMILES |
C1=C(C=C(C(=C1F)OCC1=CC=CC=C1)OC)C(O)CNC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858569 |
