| SpectraBase Compound ID | BLbeTU6mXEc |
|---|---|
| InChI | InChI=1S/C11H16S5/c1-12-7-6-8(13-2)10(15-4)11(16-5)9(7)14-3/h6H,1-5H3 |
| InChIKey | SYAFJBVKTONLAY-UHFFFAOYSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C11H16S5 |
| Exact Mass | 307.985556 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7mnPspS7CM5 |
|---|---|
| Name | Pentakis(methylthio)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.985556385 u |
| Formula | C11H16S5 |
| InChI | InChI=1S/C11H16S5/c1-12-7-6-8(13-2)10(15-4)11(16-5)9(7)14-3/h6H,1-5H3 |
| InChIKey | SYAFJBVKTONLAY-UHFFFAOYSA-N |
| Molecular Weight | 308.549 g/mol |
| SMILES | C=1C(=C(C(=C(C1SC)SC)SC)SC)SC |
| Spectrum/Structure Validation Score (Raman) | 0.96525 |