| SpectraBase Compound ID | 7F8UfPUX5YO |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-18-14-8-4-2-6-11(14)13-10-19-15-9-5-3-7-12(15)16(13)17/h2-10H,1H3 |
| InChIKey | IVHDCWICIDMPKT-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcYgv4KVn74 |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 3-(2-methoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c1-18-14-8-4-2-6-11(14)13-10-19-15-9-5-3-7-12(15)16(13)17/h2-10H,1H3 |
| InChIKey | IVHDCWICIDMPKT-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C=1(C(C2=CC=CC=C2OC1)=O)C1=C(OC)C=CC=C1 |