| SpectraBase Compound ID | IBH9tAT6aVB |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-8(2)7-14-10(12)5-3-9-4-6-11(13)15-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | RDBAGFDWZRZXFU-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZXFOpTlueJ |
|---|---|
| Name | Isobutyl 3-(perhydro-5-oxo-2-furyl)propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-8(2)7-14-10(12)5-3-9-4-6-11(13)15-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | RDBAGFDWZRZXFU-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C1(CCC(O1)=O)CCC(OCC(C)C)=O |