| SpectraBase Spectrum ID |
DjRdwws7WNp |
| Name |
Benzeneethanamine, 3-fluoro-.beta.-hydroxy-4,5-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.095771475 u |
| Formula |
C10H14FNO3 |
| InChI |
InChI=1S/C10H14FNO3/c1-14-9-4-6(8(13)5-12)3-7(11)10(9)15-2/h3-4,8,13H,5,12H2,1-2H3 |
| InChIKey |
RVWROCVXGHVAIR-UHFFFAOYSA-N |
| Molecular Weight |
215.224 g/mol |
| SMILES |
C1=C(C=C(C(=C1F)OC)OC)C(O)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90215 |
