| SpectraBase Compound ID | 4K7d554nN0v |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-9(2)7-12(15)11-8-10-5-3-4-6-13(10)17-14(11)16/h3-8H,1-2H3 |
| InChIKey | ODFXFLFIFFEAFX-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEDnmVOcjE5 |
|---|---|
| Name | 3-(3-Methyl-1-oxobut-2-enyl)-1-benzopyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-9(2)7-12(15)11-8-10-5-3-4-6-13(10)17-14(11)16/h3-8H,1-2H3 |
| InChIKey | ODFXFLFIFFEAFX-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=CC=C2)=O)C(C=C(C)C)=O |