| SpectraBase Compound ID | 1LBdeY8iupO |
|---|---|
| InChI | InChI=1S/C8H8O3/c1-2-5-10-8-4-3-7(9)6-11-8/h1,3-4,8H,5-6H2 |
| InChIKey | AAIDAXITHFOHKP-UHFFFAOYSA-N |
| Mol Weight | 152.15 g/mol |
| Molecular Formula | C8H8O3 |
| Exact Mass | 152.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8c5KS7oCej0 |
|---|---|
| Name | 2-Prop-2-ynoxy-2H-pyran-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.047344115 u |
| Formula | C8H8O3 |
| InChI | InChI=1S/C8H8O3/c1-2-5-10-8-4-3-7(9)6-11-8/h1,3-4,8H,5-6H2 |
| InChIKey | AAIDAXITHFOHKP-UHFFFAOYSA-N |
| Molecular Weight | 152.149 g/mol |
| SMILES | C1C(C=CC(O1)OCC#C)=O |