| SpectraBase Spectrum ID |
I3pmb1XfsdA |
| Name |
(Z/E)-N-(5-Hydroxy-2-fluoro-2-pentenyl)-isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.080121410 u |
| Formula |
C13H12FNO3 |
| InChI |
InChI=1S/C13H12FNO3/c14-9(4-3-7-16)8-15-12(17)10-5-1-2-6-11(10)13(15)18/h1-2,4-6,16H,3,7-8H2/b9-4- |
| InChIKey |
CDLJTXBQFPKHSK-WTKPLQERSA-N |
| Molecular Weight |
249.241 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)C\C(=C\CCO)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933695 |
