| SpectraBase Compound ID | 6qykeBJCqJv |
|---|---|
| InChI | InChI=1S/C14H12O4S/c1-3-17-13(15)9-7-11-5-6-12(19-11)8-10-14(16)18-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | WIFJJZSKQHBJGY-UHFFFAOYSA-N |
| Mol Weight | 276.31 g/mol |
| Molecular Formula | C14H12O4S |
| Exact Mass | 276.04563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Ss2tNR3t2s |
|---|---|
| Name | 2,5-bis(Ethoxycarbonylethynyl)thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.045630036 u |
| Formula | C14H12O4S |
| InChI | InChI=1S/C14H12O4S/c1-3-17-13(15)9-7-11-5-6-12(19-11)8-10-14(16)18-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | WIFJJZSKQHBJGY-UHFFFAOYSA-N |
| SMILES | C(#CC(=O)OCC)C=1SC(C#CC(=O)OCC)=CC1 |