| SpectraBase Spectrum ID |
KtEe554eq87 |
| Name |
.alpha.-Propylaminopentiophenone, N-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.138226027 u |
| Formula |
C18H20F7NO2 |
| InChI |
InChI=1S/C18H20F7NO2/c1-3-8-13(14(27)12-9-6-5-7-10-12)26(11-4-2)15(28)16(19,20)17(21,22)18(23,24)25/h5-7,9-10,13H,3-4,8,11H2,1-2H3 |
| InChIKey |
PMQCTCVENAYEAT-UHFFFAOYSA-N |
| Molecular Weight |
415.352 g/mol |
| SMILES |
C(C(N(CCC)C(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909077 |
