SpectraBase Spectrum ID |
HkkbNO2IyDX |
Name |
2,2,2-Trifluoro-N,N-dihexylacetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.196648949 u |
Formula |
C14H26F3NO |
InChI |
InChI=1S/C14H26F3NO/c1-3-5-7-9-11-18(12-10-8-6-4-2)13(19)14(15,16)17/h3-12H2,1-2H3 |
InChIKey |
ATHNUNRGHRESQR-UHFFFAOYSA-N |
Molecular Weight |
281.363 g/mol |
SMILES |
CCCCCCN(C(C(F)(F)F)=O)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976506 |