| SpectraBase Spectrum ID |
JFdyww1Npaf |
| Name |
1-(2',5'-Dichlorophenyl)-3-methyl-5-pyrazolone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.001368285 u |
| Formula |
C10H8Cl2N2O |
| InChI |
InChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3 |
| InChIKey |
FCWUFSJRTXLBTH-UHFFFAOYSA-N |
| Molecular Weight |
243.093 g/mol |
| SMILES |
CC=1CC(N(C=2C=C(C=CC2Cl)Cl)N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894853 |
