| SpectraBase Spectrum ID |
AVBXkblv0c1 |
| Name |
1H-Isoindole-1,3(2H)-dione, 2-[4-bromo-1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.982881988 u |
| Formula |
C19H13BrClN3O3 |
| InChI |
InChI=1S/C19H13BrClN3O3/c1-9-7-10(2)15(13(21)8-9)24-19(27)14(20)16(22-24)23-17(25)11-5-3-4-6-12(11)18(23)26/h3-8,14H,1-2H3 |
| InChIKey |
LPPRUIOVXBBKCV-UHFFFAOYSA-N |
| Molecular Weight |
446.688 g/mol |
| SMILES |
CC1=CC(C)=C(N2N=C(C(Br)C2=O)N2C(=O)C3=CC=CC=C3C2=O)C(Cl)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941499 |
![1H-isoindole-1,3(2H)-dione, 2-[4-bromo-1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-](/api/spectrum/AVBXkblv0c1/structure.png?h=300&w=458 "1H-isoindole-1,3(2H)-dione, 2-[4-bromo-1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-")
