| SpectraBase Compound ID | JvZaRygLfEt |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-8-4-5-9(14-8)11(2,3)7-6-10(12)13/h4-5H,6-7H2,1-3H3,(H,12,13) |
| InChIKey | HTXJZGBAOMYESZ-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5WQiN0GsFx |
|---|---|
| Name | 4-Methyl-4-(5-methyl-2-furyl)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-8-4-5-9(14-8)11(2,3)7-6-10(12)13/h4-5H,6-7H2,1-3H3,(H,12,13) |
| InChIKey | HTXJZGBAOMYESZ-UHFFFAOYSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C=1(OC(C)=CC1)C(CCC(=O)O)(C)C |