SpectraBase Spectrum ID |
AtrMlQc4w1w |
Name |
1-Aminoeicosane, N-trifluoroacetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
393.321849464 u |
Formula |
C22H42F3NO |
InChI |
InChI=1S/C22H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21(27)22(23,24)25/h2-20H2,1H3,(H,26,27) |
InChIKey |
MOXAXUSNVSZOAE-UHFFFAOYSA-N |
Molecular Weight |
393.579 g/mol |
SMILES |
CCCCCCCCCCCCCCCCCCCCNC(C(F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813802 |