| SpectraBase Compound ID | FSk7dYXmWqA |
|---|---|
| InChI | InChI=1S/C12H8O4/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15) |
| InChIKey | LOQBQVAJOUMEIG-UHFFFAOYSA-N |
| Mol Weight | 216.19 g/mol |
| Molecular Formula | C12H8O4 |
| Exact Mass | 216.042259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4KXcO43tAPA |
|---|---|
| Name | Benzoic acid, 2-(2-furanylcarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.042258734 u |
| Formula | C12H8O4 |
| InChI | InChI=1S/C12H8O4/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15) |
| InChIKey | LOQBQVAJOUMEIG-UHFFFAOYSA-N |
| Molecular Weight | 216.192 g/mol |
| SMILES | C(C=1C(C(=O)O)=CC=CC1)(C=1OC=CC1)=O |