| SpectraBase Compound ID | Aqq1mv93Rvn |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h1,7H,5-6H2,2-3H3 |
| InChIKey | RQKNPIFUSSMYFE-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhlH4C2qi7i |
|---|---|
| Name | Prop-2-yn-1-yl 2-methylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h1,7H,5-6H2,2-3H3 |
| InChIKey | RQKNPIFUSSMYFE-UHFFFAOYSA-N |
| SMILES | C#CCOC(C(CC)C)=O |