| SpectraBase Spectrum ID |
1D2HjQernes |
| Name |
Benzeneethanamine, 3-fluoro-4,5-dimethoxy-.beta.-hydroxy-N-isopropyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.142721668 u |
| Formula |
C13H20FNO3 |
| InChI |
InChI=1S/C13H20FNO3/c1-8(2)15-7-11(16)9-5-10(14)13(18-4)12(6-9)17-3/h5-6,8,11,15-16H,7H2,1-4H3 |
| InChIKey |
KCPLVYSMWBXVEW-UHFFFAOYSA-N |
| Molecular Weight |
257.305 g/mol |
| SMILES |
C1=C(C=C(C(=C1F)OC)OC)C(CNC(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955503 |
