| SpectraBase Spectrum ID |
3B4etoGaxaP |
| Name |
(4E)-2-(2,4-Dimethylphenyl)-4-[(2-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.049457211 u |
| Formula |
C19H18IN3O |
| InChI |
InChI=1S/C19H18IN3O/c1-12-8-9-18(13(2)10-12)23-19(24)15(14(3)22-23)11-21-17-7-5-4-6-16(17)20/h4-11,21H,1-3H3/b15-11+ |
| InChIKey |
RQCQOHHARICLTJ-RVDMUPIBSA-N |
| Molecular Weight |
431.277 g/mol |
| SMILES |
C=1C=C(C(N\C=C\2C(N(C=3C(=CC(C)=CC3)C)N=C2C)=O)=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960411 |
![(4E)-2-(2,4-dimethylphenyl)-4-[(2-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one](/api/spectrum/3B4etoGaxaP/structure.png?h=300&w=458 "(4E)-2-(2,4-dimethylphenyl)-4-[(2-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one")
