| SpectraBase Compound ID | AGfkCZaZD2k |
|---|---|
| InChI | InChI=1S/C12H14O2S2/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h3-6H,7-8H2,1-2H3 |
| InChIKey | LMMQNTZMZDKEPJ-UHFFFAOYSA-N |
| Mol Weight | 254.36 g/mol |
| Molecular Formula | C12H14O2S2 |
| Exact Mass | 254.043522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | jfyflLTJsk |
|---|---|
| Name | 1,4-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)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h3-6H,7-8H2,1-2H3 |
| InChIKey | LMMQNTZMZDKEPJ-UHFFFAOYSA-N |
| Molecular Weight | 254.362 g/mol |
| SMILES | C1=CC(=CC=C1CSC(C)=O)CSC(C)=O |