| SpectraBase Spectrum ID |
4AVdJsrqNkz |
| Name |
4-(3,5-Dichloro-2-methoxybenzylidene)-1-(3-fluorophenyl)-3-methyl-2-pyrazolin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.033811228 u |
| Formula |
C18H13Cl2FN2O2 |
| InChI |
InChI=1S/C18H13Cl2FN2O2/c1-10-15(7-11-6-12(19)8-16(20)17(11)25-2)18(24)23(22-10)14-5-3-4-13(21)9-14/h3-9H,1-2H3/b15-7+ |
| InChIKey |
XOMNEKXJYLUJSJ-VIZOYTHASA-N |
| Molecular Weight |
379.218 g/mol |
| SMILES |
C1(\C(C(=NN1C=1C=C(C=CC1)F)C)=C\C1=CC(Cl)=CC(=C1OC)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840342 |
