| SpectraBase Compound ID | 2S121ty6Zpt |
|---|---|
| InChI | InChI=1S/C12H14O2S2/c1-9(13)15-7-11-5-3-4-6-12(11)8-16-10(2)14/h3-6H,7-8H2,1-2H3 |
| InChIKey | QWQXTHVGDKJKJU-UHFFFAOYSA-N |
| Mol Weight | 254.36 g/mol |
| Molecular Formula | C12H14O2S2 |
| Exact Mass | 254.043522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ri2ft1BvAH |
|---|---|
| Name | 1,2-Benzenedimethanethiol, S,S'-diacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.043522037 u |
| Formula | C12H14O2S2 |
| InChI | InChI=1S/C12H14O2S2/c1-9(13)15-7-11-5-3-4-6-12(11)8-16-10(2)14/h3-6H,7-8H2,1-2H3 |
| InChIKey | QWQXTHVGDKJKJU-UHFFFAOYSA-N |
| Molecular Weight | 254.362 g/mol |
| SMILES | C1(=CC=CC=C1CSC(C)=O)CSC(C)=O |