SpectraBase Spectrum ID |
H4RztiXPomH |
Name |
2-(2,4-Dimethoxyphenyl)ethylamine, pfp |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
327.089384127 u |
Formula |
C13H14F5NO3 |
InChI |
InChI=1S/C13H14F5NO3/c1-21-9-4-3-8(10(7-9)22-2)5-6-19-11(20)12(14,15)13(16,17)18/h3-4,7H,5-6H2,1-2H3,(H,19,20) |
InChIKey |
HYPPBXOGGVQJQM-UHFFFAOYSA-N |
Molecular Weight |
327.251 g/mol |
SMILES |
C1(=CC(=C(C=C1)CCNC(=O)C(F)(F)C(F)(F)F)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879329 |