| SpectraBase Compound ID | 6MLapRH6kiF |
|---|---|
| InChI | InChI=1S/C9H8O3/c1-3-7(2)12-9(10)8-5-4-6-11-8/h1,4-7H,2H3 |
| InChIKey | JYIATTCFRNWMAJ-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MhbbJFF1QR |
|---|---|
| Name | 2-Furoic acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.047344115 u |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c1-3-7(2)12-9(10)8-5-4-6-11-8/h1,4-7H,2H3 |
| InChIKey | JYIATTCFRNWMAJ-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C#CC(C)OC(C=1OC=CC1)=O |