| SpectraBase Spectrum ID |
8kbh02ER5Fl |
| Name |
1-(4-Fluorophenyl)-2-(3-pentylamino)prop-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.137242366 u |
| Formula |
C14H18FNO |
| InChI |
InChI=1S/C14H18FNO/c1-4-13(5-2)16-10(3)14(17)11-6-8-12(15)9-7-11/h6-9,13,16H,3-5H2,1-2H3 |
| InChIKey |
LKYOQXZPYXGSRD-UHFFFAOYSA-N |
| Molecular Weight |
235.302 g/mol |
| SMILES |
C(NC(CC)CC)(C(C=1C=CC(=CC1)F)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933998 |
