| SpectraBase Spectrum ID |
DY66gVYRZO0 |
| Name |
2-Chloro-9-fluoro-5-benzylphenanthridin-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.066969905 u |
| Formula |
C20H13ClFNO |
| InChI |
InChI=1S/C20H13ClFNO/c21-14-6-9-19-18(10-14)17-11-15(22)7-8-16(17)20(24)23(19)12-13-4-2-1-3-5-13/h1-11H,12H2 |
| InChIKey |
VHDIYLKXKQORCJ-UHFFFAOYSA-N |
| Molecular Weight |
337.781 g/mol |
| SMILES |
C1(N(C=2C(C=3C=C(C=CC13)F)=CC(=CC2)Cl)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912319 |
