| SpectraBase Spectrum ID |
BsLvt705R7k |
| Name |
Propan-1-one, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.100522503 u |
| Formula |
C17H15FO3 |
| InChI |
InChI=1S/C17H15FO3/c18-14-3-1-2-12(10-14)4-6-15(19)13-5-7-16-17(11-13)21-9-8-20-16/h1-3,5,7,10-11H,4,6,8-9H2 |
| InChIKey |
ORMFNPYTUCSYCQ-UHFFFAOYSA-N |
| Molecular Weight |
286.302 g/mol |
| SMILES |
C12=CC(C(=O)CCC=3C=CC=C(C3)F)=CC=C1OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946781 |
