| SpectraBase Compound ID | Jx6XJ3EBW2D |
|---|---|
| InChI | InChI=1S/C18H12O3/c19-16(11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-17(14)21-18(15)20/h1-12H/b11-10+ |
| InChIKey | VDRABZCZJGJDSC-ZHACJKMWSA-N |
| Mol Weight | 276.29 g/mol |
| Molecular Formula | C18H12O3 |
| Exact Mass | 276.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KO7qoMW0GAL |
|---|---|
| Name | 3-Cinnamoyl-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.078644243 u |
| Formula | C18H12O3 |
| InChI | InChI=1S/C18H12O3/c19-16(11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-17(14)21-18(15)20/h1-12H/b11-10+ |
| InChIKey | VDRABZCZJGJDSC-ZHACJKMWSA-N |
| SMILES | C=1(C(OC2=C(C1)C=CC=C2)=O)C(\C=C\C1=CC=CC=C1)=O |