| SpectraBase Compound ID | J7cF3Puy6MQ |
|---|---|
| InChI | InChI=1S/C10H14O3/c1-7-4-5-8(13-7)10(2,3)6-9(11)12/h4-5H,6H2,1-3H3,(H,11,12) |
| InChIKey | AZUCUIWQLJGBBW-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Q2j29w4WOs |
|---|---|
| Name | 3-Methyl-3-(5-methyl-2-furyl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c1-7-4-5-8(13-7)10(2,3)6-9(11)12/h4-5H,6H2,1-3H3,(H,11,12) |
| InChIKey | AZUCUIWQLJGBBW-UHFFFAOYSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | C=1(OC(C)=CC1)C(CC(=O)O)(C)C |