| SpectraBase Spectrum ID |
8M6hUij4y9I |
| Name |
3-Iodo-1-methyl-2-phenylquinolin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.996359009 u |
| Formula |
C16H12INO |
| InChI |
InChI=1S/C16H12INO/c1-18-13-10-6-5-9-12(13)16(19)14(17)15(18)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey |
VQZDYKCBXDWQMQ-UHFFFAOYSA-N |
| Molecular Weight |
361.182 g/mol |
| SMILES |
C=1(N(C=2C=CC=CC2C(C1I)=O)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931516 |
