| SpectraBase Compound ID | GdkIrEWZhMZ |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-3-7-4-5-8(12-7)6-9(10)11-2/h4-5H,3,6H2,1-2H3 |
| InChIKey | CYQNZDBHHRSYTN-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 | BWshH1tmVJq |
|---|---|
| Name | Methyl (2'sr,5'sr)-(5'-ethylfuran-2'-yl)acetate |
| 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/c1-3-7-4-5-8(12-7)6-9(10)11-2/h4-5H,3,6H2,1-2H3 |
| InChIKey | CYQNZDBHHRSYTN-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C=1(OC(CC)=CC1)CC(=O)OC |