| SpectraBase Compound ID | 5thTiO3vdwI |
|---|---|
| InChI | InChI=1S/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10 |
| InChIKey | INICGXSKJYKEIV-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C7Cl5N |
| Exact Mass | 272.847338 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | nekKykz7UA |
|---|---|
| Name | Benzonitrile, pentachloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.847337504 u |
| Formula | C7Cl5N |
| InChI | InChI=1S/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10 |
| InChIKey | INICGXSKJYKEIV-UHFFFAOYSA-N |
| Molecular Weight | 275.349 g/mol |
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81279 |