| SpectraBase Compound ID | 2wcZOseHvYo |
|---|---|
| InChI | InChI=1S/C11H12OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-4H2,1H3 |
| InChIKey | IOYDEGVHQQIFKD-UHFFFAOYSA-N |
| Mol Weight | 192.28 g/mol |
| Molecular Formula | C11H12OS |
| Exact Mass | 192.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1plpE8UxPL3 |
|---|---|
| Name | 1-(2-Thienyl)hept-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.060886179 u |
| Formula | C11H12OS |
| InChI | InChI=1S/C11H12OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-4H2,1H3 |
| InChIKey | IOYDEGVHQQIFKD-UHFFFAOYSA-N |
| Molecular Weight | 192.276 g/mol |
| SMILES | C=1(C(C#CCCCC)=O)SC=CC1 |