| SpectraBase Spectrum ID |
a7kLvOH8EU |
| Name |
2-(2-Methoxyphenyl)-N-methylethylamine, pfp |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.094469508 u |
| Formula |
C13H14F5NO2 |
| InChI |
InChI=1S/C13H14F5NO2/c1-19(11(20)12(14,15)13(16,17)18)8-7-9-5-3-4-6-10(9)21-2/h3-6H,7-8H2,1-2H3 |
| InChIKey |
PSUXMAOCHWCVPG-UHFFFAOYSA-N |
| Molecular Weight |
311.252 g/mol |
| SMILES |
C1=CC(=C(C=C1)CCN(C(=O)C(F)(F)C(F)(F)F)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877279 |
