| SpectraBase Compound ID | 63OKQk0k30w |
|---|---|
| InChI | InChI=1S/C10H14S2/c1-7-5-9(11-3)10(12-4)6-8(7)2/h5-6H,1-4H3 |
| InChIKey | CFVBEJCMNPNQHB-UHFFFAOYSA-N |
| Mol Weight | 198.34 g/mol |
| Molecular Formula | C10H14S2 |
| Exact Mass | 198.053693 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FU7EadJj2pl |
|---|---|
| Name | Poly(thianthrene), contains aliphatic structures |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.053692799 u |
| Formula | C10H14S2 |
| InChI | InChI=1S/C10H14S2/c1-7-5-9(11-3)10(12-4)6-8(7)2/h5-6H,1-4H3 |
| InChIKey | CFVBEJCMNPNQHB-UHFFFAOYSA-N |
| Molecular Weight | 198.342 g/mol |
| Nominal Mass | 198 u |
| SMILES | C1(=CC(=C(C=C1SC)C)C)SC |
| Spectrum/Structure Validation Score (Raman) | 0.898336 |