| SpectraBase Compound ID | 8WUwzMhDgCf |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-6H,3-4,7-8H2,1-2H3 |
| InChIKey | MSKNYZAFOIPXNF-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 | LXRY3IiUjnQ |
|---|---|
| Name | 3-(5-Propyl-2-furanyl)propanoic acid methyl ester |
| 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/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-6H,3-4,7-8H2,1-2H3 |
| InChIKey | MSKNYZAFOIPXNF-UHFFFAOYSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C=1(OC(=CC1)CCC)CCC(=O)OC |