| SpectraBase Spectrum ID |
9IRBFQXXDvt |
| Name |
(4E)-2-(2,4-Dimethylphenyl)-4-[(4-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.049457211 u |
| Formula |
C19H18IN3O |
| InChI |
InChI=1S/C19H18IN3O/c1-12-4-9-18(13(2)10-12)23-19(24)17(14(3)22-23)11-21-16-7-5-15(20)6-8-16/h4-11,21H,1-3H3/b17-11+ |
| InChIKey |
ZHJOVFQZIBXZID-GZTJUZNOSA-N |
| Molecular Weight |
431.277 g/mol |
| SMILES |
C=1(C=CC(N\C=C\2C(N(C=3C(=CC(C)=CC3)C)N=C2C)=O)=CC1)I |
![(4E)-2-(2,4-dimethylphenyl)-4-[(4-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one](/api/spectrum/9IRBFQXXDvt/structure.png?h=300&w=458 "(4E)-2-(2,4-dimethylphenyl)-4-[(4-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one")
