| SpectraBase Spectrum ID |
BAOe3rEcQif |
| Name |
3-(4-Iodoanilino)-1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1-propanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
499.100824079 u |
| Formula |
C25H26INO2 |
| InChI |
InChI=1S/C25H26INO2/c1-17(2)18-4-6-19(7-5-18)24(27-22-12-10-21(26)11-13-22)16-25(28)20-8-14-23(29-3)15-9-20/h4-15,17,24,27H,16H2,1-3H3 |
| InChIKey |
QFEQWJJMOJHTSZ-UHFFFAOYSA-N |
| Molecular Weight |
499.392 g/mol |
| SMILES |
C(C(C1=CC=C(C=C1)OC)=O)C(NC1=CC=C(C=C1)I)C1=CC=C(C=C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869593 |
