![2-[(1E)-1-Propenyl]thiophene](/api/spectrum/4M0sX5qwuTU/structure.png?h=300&w=458 "2-[(1E)-1-Propenyl]thiophene")
| SpectraBase Compound ID | IQt2Sfm9a41 |
|---|---|
| InChI | InChI=1S/C7H8S/c1-2-4-7-5-3-6-8-7/h2-6H,1H3/b4-2+ |
| InChIKey | NQAAVWYIMDCXDL-DUXPYHPUSA-N |
| Mol Weight | 124.2 g/mol |
| Molecular Formula | C7H8S |
| Exact Mass | 124.034671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4M0sX5qwuTU |
|---|---|
| Name | Thiophene, 2-(1-propenyl)-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.034671432 u |
| Formula | C7H8S |
| InChI | InChI=1S/C7H8S/c1-2-4-7-5-3-6-8-7/h2-6H,1H3/b4-2+ |
| InChIKey | NQAAVWYIMDCXDL-DUXPYHPUSA-N |
| Molecular Weight | 124.201 g/mol |
| SMILES | C=1(SC=CC1)\C=C\C |