| SpectraBase Compound ID | IW4n6Q7IKwk |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-3-7(2)12-9(10)8-5-4-6-11-8/h4-7H,3H2,1-2H3 |
| InChIKey | AGKHJVLQDSGARV-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ir3NADpO900 |
|---|---|
| Name | 2-Furanecarboxylic acid, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-3-7(2)12-9(10)8-5-4-6-11-8/h4-7H,3H2,1-2H3 |
| InChIKey | AGKHJVLQDSGARV-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C=1OC(C(=O)OC(C)CC)=CC1 |