| SpectraBase Compound ID | nixOvUeCfj |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-3-6-10-7-4-5-8(2)9/h1H,4-7H2,2H3 |
| InChIKey | CIZSEEPLOJOFJF-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 | 203EPO3IeHU |
|---|---|
| Name | 2-Pentanone, 5-(2-propynyloxy)- |
| 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/c1-3-6-10-7-4-5-8(2)9/h1H,4-7H2,2H3 |
| InChIKey | CIZSEEPLOJOFJF-UHFFFAOYSA-N |
| SMILES | C(CCC(C)=O)OCC#C |