| SpectraBase Compound ID | ERGNP588939 |
|---|---|
| InChI | InChI=1S/C14H22S2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3 |
| InChIKey | CSIZIQLBDQSSDH-UHFFFAOYSA-N |
| Mol Weight | 254.45 g/mol |
| Molecular Formula | C14H22S2 |
| Exact Mass | 254.116293 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1J1o8gQ3Rdo |
|---|---|
| Name | 2,5-di-Tert-p-benzenedithiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.116293056 u |
| Formula | C14H22S2 |
| InChI | InChI=1S/C14H22S2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3 |
| InChIKey | CSIZIQLBDQSSDH-UHFFFAOYSA-N |
| Molecular Weight | 254.450 g/mol |
| SMILES | SC=1C=C(C(=CC1C(C)(C)C)S)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.943596 |