| SpectraBase Compound ID | IQjTAcfXIqB |
|---|---|
| InChI | InChI=1S/C8H10O2/c1-4-6-10-8(9)7(3)5-2/h1,5H,6H2,2-3H3/b7-5+ |
| InChIKey | IOODRSZMVRTKBM-FNORWQNLSA-N |
| Mol Weight | 138.17 g/mol |
| Molecular Formula | C8H10O2 |
| Exact Mass | 138.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfbFhxabNiF |
|---|---|
| Name | Prop-2-ynyl (E)-2-methylbut-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.068079560 u |
| Formula | C8H10O2 |
| InChI | InChI=1S/C8H10O2/c1-4-6-10-8(9)7(3)5-2/h1,5H,6H2,2-3H3/b7-5+ |
| InChIKey | IOODRSZMVRTKBM-FNORWQNLSA-N |
| Molecular Weight | 138.166 g/mol |
| SMILES | C(=O)(\C(=C\C)C)OCC#C |