| SpectraBase Spectrum ID |
Cg4yVbusyL4 |
| Name |
Benzeneethanamine, 2,6-difluoro-3,4-methoxy-.beta.-hydroxy-N-formyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.081264225 u |
| Formula |
C11H13F2NO4 |
| InChI |
InChI=1S/C11H13F2NO4/c1-17-8-3-6(12)9(7(16)4-14-5-15)10(13)11(8)18-2/h3,5,7,16H,4H2,1-2H3,(H,14,15) |
| InChIKey |
DGGFTWHGDDWVDN-UHFFFAOYSA-N |
| Molecular Weight |
261.225 g/mol |
| SMILES |
C1(=C(C(=CC(=C1C(O)CNC=O)F)OC)OC)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903903 |
