| SpectraBase Compound ID | C9hdGqKqA6u |
|---|---|
| InChI | InChI=1S/C7HCl5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) |
| InChIKey | IONYGGJUUJFXJK-UHFFFAOYSA-N |
| Mol Weight | 294.3 g/mol |
| Molecular Formula | C7HCl5O2 |
| Exact Mass | 291.841918 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | InWJv7jpH5b |
|---|---|
| Name | Benzoic acid, pentachloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.841917770 u |
| Formula | C7HCl5O2 |
| InChI | InChI=1S/C7HCl5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) |
| InChIKey | IONYGGJUUJFXJK-UHFFFAOYSA-N |
| Molecular Weight | 294.348 g/mol |
| SMILES | C(O)(=O)C1=C(Cl)C(Cl)=C(C(=C1Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816886 |