| SpectraBase Compound ID | ymKRx2BTdj |
|---|---|
| InChI | InChI=1S/C7H3Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3 |
| InChIKey | AVSIMRGRHWKCAY-UHFFFAOYSA-N |
| Mol Weight | 264.4 g/mol |
| Molecular Formula | C7H3Cl5 |
| Exact Mass | 261.867739 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2A5yfxYyRHF |
|---|---|
| Name | Benzene, pentachloromethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.867738597 u |
| Formula | C7H3Cl5 |
| InChI | InChI=1S/C7H3Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3 |
| InChIKey | AVSIMRGRHWKCAY-UHFFFAOYSA-N |
| SMILES | C1(C)=C(Cl)C(Cl)=C(C(=C1Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817882 |