| SpectraBase Spectrum ID |
KhLIIRKDgjP |
| Name |
.alpha.-Propylaminopentiophenone, N-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.144613375 u |
| Formula |
C16H20F3NO2 |
| InChI |
InChI=1S/C16H20F3NO2/c1-3-8-13(14(21)12-9-6-5-7-10-12)20(11-4-2)15(22)16(17,18)19/h5-7,9-10,13H,3-4,8,11H2,1-2H3 |
| InChIKey |
QXWOYEYYWINFSW-UHFFFAOYSA-N |
| Molecular Weight |
315.336 g/mol |
| SMILES |
C(C(N(CCC)C(C(F)(F)F)=O)CCC)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933873 |
