| SpectraBase Compound ID | Io13HHXk |
|---|---|
| InChI | InChI=1S/C13H14O2S2/c1-13(7-6-12(14)15,10-4-2-8-16-10)11-5-3-9-17-11/h2-5,8-9H,6-7H2,1H3,(H,14,15) |
| InChIKey | BXYUGNDMLAAYCT-UHFFFAOYSA-N |
| Mol Weight | 266.37 g/mol |
| Molecular Formula | C13H14O2S2 |
| Exact Mass | 266.043522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMgBf1PHdx3 |
|---|---|
| Name | 4,4-di-2-Thienylvaleric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.043522037 u |
| Formula | C13H14O2S2 |
| InChI | InChI=1S/C13H14O2S2/c1-13(7-6-12(14)15,10-4-2-8-16-10)11-5-3-9-17-11/h2-5,8-9H,6-7H2,1H3,(H,14,15) |
| InChIKey | BXYUGNDMLAAYCT-UHFFFAOYSA-N |
| Molecular Weight | 266.373 g/mol |
| Nominal Mass | 266 u |
| SMILES | OC(CCC(C1=CC=CS1)(C1=CC=CS1)C)=O |