| SpectraBase Compound ID | 8N1SjgNDSXe |
|---|---|
| InChI | InChI=1S/C9H3Cl9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H |
| InChIKey | DDTHLQVVHGZPQB-UHFFFAOYSA-N |
| Mol Weight | 430.2 g/mol |
| Molecular Formula | C9H3Cl9 |
| Exact Mass | 425.743149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ISlZACMRZh0 |
|---|---|
| Name | Nonachloromesitylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.743149397 u |
| Formula | C9H3Cl9 |
| InChI | InChI=1S/C9H3Cl9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H |
| InChIKey | DDTHLQVVHGZPQB-UHFFFAOYSA-N |
| Molecular Weight | 430.200 g/mol |
| SMILES | C(Cl)(Cl)(Cl)C1=CC(C(Cl)(Cl)Cl)=CC(C(Cl)(Cl)Cl)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943755 |