| SpectraBase Spectrum ID |
Gw8kR1nE53E |
| Name |
(E)-3-(1,3-Benzodioxol-5-yl)-2-fluoranyl-1-piperidin-1-yl-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 |
277.111421539 u |
| Formula |
C15H16FNO3 |
| InChI |
InChI=1S/C15H16FNO3/c16-12(15(18)17-6-2-1-3-7-17)8-11-4-5-13-14(9-11)20-10-19-13/h4-5,8-9H,1-3,6-7,10H2/b12-8+ |
| InChIKey |
SSDOIVCEEDVEJX-XYOKQWHBSA-N |
| Molecular Weight |
277.295 g/mol |
| SMILES |
C(\C(=C/C=1C=C2OCOC2=CC1)F)(N1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923321 |
