| SpectraBase Compound ID | Fa9DNMFyhbV |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-3-4-8(10)9-6-5-7(2)11-9/h5-6H,3-4H2,1-2H3 |
| InChIKey | IFHKZUYQKMDHIN-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bvRahVqrSk |
|---|---|
| Name | 2-Butanoyl-5-methylfuran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-3-4-8(10)9-6-5-7(2)11-9/h5-6H,3-4H2,1-2H3 |
| InChIKey | IFHKZUYQKMDHIN-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C=1C=C(C)OC1C(CCC)=O |