| SpectraBase Compound ID | 5PkF7FC6sNa |
|---|---|
| InChI | InChI=1S/C12H8O4/c13-11(14)6-5-8-7-16-10-4-2-1-3-9(10)12(8)15/h1-7H,(H,13,14)/b6-5+ |
| InChIKey | JTKDMUFCCJDYLT-AATRIKPKSA-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 | A4yQodKmWP5 |
|---|---|
| Name | 2-Propenoic acid, 3-(4-oxo-4H-1-benzopyran-3-yl)- |
| 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(14)6-5-8-7-16-10-4-2-1-3-9(10)12(8)15/h1-7H,(H,13,14)/b6-5+ |
| InChIKey | JTKDMUFCCJDYLT-AATRIKPKSA-N |
| Molecular Weight | 216.192 g/mol |
| SMILES | OC(\C=C\C1=COC2=C(C=CC=C2)C1=O)=O |