| SpectraBase Spectrum ID |
DZKTdkDEzDI |
| Name |
2-(4-Chlorophenyl)-3-iodanyl-1-methyl-quinolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.957386677 u |
| Formula |
C16H11ClINO |
| InChI |
InChI=1S/C16H11ClINO/c1-19-13-5-3-2-4-12(13)16(20)14(18)15(19)10-6-8-11(17)9-7-10/h2-9H,1H3 |
| InChIKey |
QBXSLJJVWRLNOI-UHFFFAOYSA-N |
| Molecular Weight |
395.627 g/mol |
| SMILES |
C=1(N(C=2C=CC=CC2C(C1I)=O)C)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826044 |
