| SpectraBase Compound ID | 2mU3cvq8P69 |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3 |
| InChIKey | RJYQLMILDVERHH-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QoBFJPJKH |
|---|---|
| Name | 1-Pentanone, 1-(3-furanyl)-4-hydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3 |
| InChIKey | RJYQLMILDVERHH-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C(CCC(C)O)(C1=COC=C1)=O |