| SpectraBase Compound ID | 6q8VuIgynhe |
|---|---|
| InChI | InChI=1S/C7H3Cl5OS/c1-14(13)7-5(11)3(9)2(8)4(10)6(7)12/h1H3 |
| InChIKey | NYAOLCQXYFKTGX-UHFFFAOYSA-N |
| Mol Weight | 312.4 g/mol |
| Molecular Formula | C7H3Cl5OS |
| Exact Mass | 309.834724 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 | E77GXqmr1Yh |
|---|---|
| Name | Pentachlorophenyl methyl sulfoxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.834724390 u |
| Formula | C7H3Cl5OS |
| InChI | InChI=1S/C7H3Cl5OS/c1-14(13)7-5(11)3(9)2(8)4(10)6(7)12/h1H3 |
| InChIKey | NYAOLCQXYFKTGX-UHFFFAOYSA-N |
| Molecular Weight | 312.425 g/mol |
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)S(=O)C)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93852 |