| SpectraBase Spectrum ID |
Jdjx0A0d3U1 |
| Name |
3-(4-(Dimethylamino)phenyl)-1-(4-trifluoromethyl)phenylprop-2-yn-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.102748563 u |
| Formula |
C18H14F3NO |
| InChI |
InChI=1S/C18H14F3NO/c1-22(2)16-10-3-13(4-11-16)5-12-17(23)14-6-8-15(9-7-14)18(19,20)21/h3-4,6-11H,1-2H3 |
| InChIKey |
YMEQTZYYRCLWMW-UHFFFAOYSA-N |
| Molecular Weight |
317.311 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C(F)(F)F)(=O)C#CC1=CC=C(C=C1)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892394 |
