| SpectraBase Spectrum ID |
5VAEHq8cVsb |
| Name |
Benzeneethanamine, 2-fluoro-.beta.-hydroxy-4,5-methoxy-.alpha.-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.111421539 u |
| Formula |
C11H16FNO3 |
| InChI |
InChI=1S/C11H16FNO3/c1-6(13)11(14)7-4-9(15-2)10(16-3)5-8(7)12/h4-6,11,14H,13H2,1-3H3 |
| InChIKey |
PMTUVVGYCJMJSH-UHFFFAOYSA-N |
| Molecular Weight |
229.251 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)OC)C(O)C(C)N)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963148 |
