| SpectraBase Spectrum ID |
5OeV26qAmJ2 |
| Name |
1H-Isoindole-1,3(2H)-dione, 2-[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 |
367.072369020 u |
| Formula |
C19H14ClN3O3 |
| InChI |
InChI=1S/C19H14ClN3O3/c1-10-7-11(2)17(14(20)8-10)23-16(24)9-15(21-23)22-18(25)12-5-3-4-6-13(12)19(22)26/h3-8H,9H2,1-2H3 |
| InChIKey |
VKKJIXMZSFSNCK-UHFFFAOYSA-N |
| Molecular Weight |
367.792 g/mol |
| SMILES |
CC1=CC(C)=C(N2N=C(CC2=O)N2C(=O)C3=CC=CC=C3C2=O)C(Cl)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939333 |
![1H-isoindole-1,3(2H)-dione, 2-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-](/api/spectrum/5OeV26qAmJ2/structure.png?h=300&w=458 "1H-isoindole-1,3(2H)-dione, 2-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-")
