SpectraBase Spectrum ID |
2oUYCcrOY8K |
Name |
N,N-Diallyl-3-(trifluoromethyl)benzylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.123484008 u |
Formula |
C14H16F3N |
InChI |
InChI=1S/C14H16F3N/c1-3-8-18(9-4-2)11-12-6-5-7-13(10-12)14(15,16)17/h3-7,10H,1-2,8-9,11H2 |
InChIKey |
XZOIQWLSMUUROY-UHFFFAOYSA-N |
Molecular Weight |
255.284 g/mol |
SMILES |
C(C1=CC(CN(CC=C)CC=C)=CC=C1)(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826379 |