| SpectraBase Spectrum ID |
JD0nsjkqWWr |
| Name |
(S)-2-Methyl-4-(4-(trifluoromethyl)phenyl)pentan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.107499591 u |
| Formula |
C13H15F3O |
| InChI |
InChI=1S/C13H15F3O/c1-8(2)12(17)9(3)10-4-6-11(7-5-10)13(14,15)16/h4-9H,1-3H3/t9-/m0/s1 |
| InChIKey |
WGHDHQXEWNUSHF-VIFPVBQESA-N |
| Molecular Weight |
244.257 g/mol |
| SMILES |
CC(C([C@@](C)(C=1C=CC(=CC1)C(F)(F)F)[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923516 |
