| SpectraBase Compound ID | Fy8gNGLNh0V |
|---|---|
| InChI | InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,18H,5H2 |
| InChIKey | LKEVYYRGUCTKBS-UHFFFAOYSA-N |
| Mol Weight | 283.11 g/mol |
| Molecular Formula | C13H8Cl2O3 |
| Exact Mass | 281.98505 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FBdoW944zxT |
|---|---|
| Name | Dichloroallyl lawsone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.985049515 u |
| Formula | C13H8Cl2O3 |
| InChI | InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,18H,5H2 |
| InChIKey | LKEVYYRGUCTKBS-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)C(C(=C(C2=O)CC=C(Cl)Cl)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944059 |