| SpectraBase Spectrum ID |
BGbqtE8yYtj |
| Name |
4-(Chloromethyl)-6-fluoro-2-phenyl-3A,4,7,7A-tetrahydroisoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.061884524 u |
| Formula |
C15H13ClFNO2 |
| InChI |
InChI=1S/C15H13ClFNO2/c16-8-9-6-10(17)7-12-13(9)15(20)18(14(12)19)11-4-2-1-3-5-11/h1-6,9,12-13H,7-8H2 |
| InChIKey |
KWNLVAXNTDWRLZ-UHFFFAOYSA-N |
| Molecular Weight |
293.725 g/mol |
| SMILES |
C1(=CC(C2C(C1)C(N(C2=O)C1=CC=CC=C1)=O)CCl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899663 |
