| SpectraBase Compound ID | Cgw8hQYUI58 |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-3-14-12(13)9-10(2)6-7-11-5-4-8-15-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | YWKTUFMTWXVGCF-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FyULd4uyk0 |
|---|---|
| Name | beta-Methyltetrahydro-2-furanvaleric acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-3-14-12(13)9-10(2)6-7-11-5-4-8-15-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | YWKTUFMTWXVGCF-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | CCOC(CC(CCC1CCCO1)C)=O |