![5-[(E)-3-ketoprop-1-enyl]thiophene-2-carbaldehyde](/api/spectrum/GmE7zbpxixw/structure.png?h=300&w=458 "5-[(E)-3-ketoprop-1-enyl]thiophene-2-carbaldehyde")
| SpectraBase Compound ID | VYlZ21oWzX |
|---|---|
| InChI | InChI=1S/C8H6O2S/c9-5-1-2-7-3-4-8(6-10)11-7/h1-6H/b2-1+ |
| InChIKey | SZWBUEIOKSFPSU-OWOJBTEDSA-N |
| Mol Weight | 166.19 g/mol |
| Molecular Formula | C8H6O2S |
| Exact Mass | 166.008851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmE7zbpxixw |
|---|---|
| Name | 5-[(E)-3-Ketoprop-1-enyl]thiophene-2-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.008850605 u |
| Formula | C8H6O2S |
| InChI | InChI=1S/C8H6O2S/c9-5-1-2-7-3-4-8(6-10)11-7/h1-6H/b2-1+ |
| InChIKey | SZWBUEIOKSFPSU-OWOJBTEDSA-N |
| Molecular Weight | 166.194 g/mol |
| SMILES | C=1(SC(=CC1)C=O)\C=C\C=O |