| SpectraBase Compound ID | JqLeeMS3n5e |
|---|---|
| InChI | InChI=1S/C12H8O3/c13-7-3-4-9-8-15-11-6-2-1-5-10(11)12(9)14/h1-8H/b4-3+ |
| InChIKey | DCPRFNVBXFOOCK-ONEGZZNKSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C12H8O3 |
| Exact Mass | 200.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNz1hjzyanG |
|---|---|
| Name | 3-(4-Oxochromen-3-yl)prop-2-enal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.047344115 u |
| Formula | C12H8O3 |
| InChI | InChI=1S/C12H8O3/c13-7-3-4-9-8-15-11-6-2-1-5-10(11)12(9)14/h1-8H/b4-3+ |
| InChIKey | DCPRFNVBXFOOCK-ONEGZZNKSA-N |
| Molecular Weight | 200.193 g/mol |
| SMILES | C1=CC=C2C(=C1)OC=C(C2=O)\C=C\C=O |