| SpectraBase Compound ID | 3Ej4uIUIcpb |
|---|---|
| InChI | InChI=1S/C11H5Cl3O2/c12-4-5-1-2-6-7(3-5)11(16)9(14)8(13)10(6)15/h1-3H,4H2 |
| InChIKey | VJLOBCYXSXILOB-UHFFFAOYSA-N |
| Mol Weight | 275.52 g/mol |
| Molecular Formula | C11H5Cl3O2 |
| Exact Mass | 273.935512 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J2Q8pDdvgsv |
|---|---|
| Name | 2,3-bis(Chloranyl)-6-(chloromethyl)naphthalene-1,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.935512499 u |
| Formula | C11H5Cl3O2 |
| InChI | InChI=1S/C11H5Cl3O2/c12-4-5-1-2-6-7(3-5)11(16)9(14)8(13)10(6)15/h1-3H,4H2 |
| InChIKey | VJLOBCYXSXILOB-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=C(C=C2)CCl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879254 |