| SpectraBase Compound ID | CpTdfP5Wa6i |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-5-8(9)10-6-7(2)3/h7H,6H2,1-3H3 |
| InChIKey | BCEIYFSZESBOGB-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 | 7W8LX4ZD8sl |
|---|---|
| Name | iso-Butyl 2-butynoate |
| 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/c1-4-5-8(9)10-6-7(2)3/h7H,6H2,1-3H3 |
| InChIKey | BCEIYFSZESBOGB-UHFFFAOYSA-N |
| SMILES | C(C#CC)(=O)OCC(C)C |