| SpectraBase Compound ID | LgOHcTUuFbO |
|---|---|
| InChI | InChI=1S/C17H15ClO4/c1-20-15-5-3-10(7-16(15)21-2)13-9-22-14-6-4-11(18)8-12(14)17(13)19/h3-8,13H,9H2,1-2H3 |
| InChIKey | AYGCUJLFXYAPET-UHFFFAOYSA-N |
| Mol Weight | 318.76 g/mol |
| Molecular Formula | C17H15ClO4 |
| Exact Mass | 318.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 575iqjyMIYC |
|---|---|
| Name | 6-Chloro-3-(3,4-dimethoxyphenyl)chroman-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.065886659 u |
| Formula | C17H15ClO4 |
| InChI | InChI=1S/C17H15ClO4/c1-20-15-5-3-10(7-16(15)21-2)13-9-22-14-6-4-11(18)8-12(14)17(13)19/h3-8,13H,9H2,1-2H3 |
| InChIKey | AYGCUJLFXYAPET-UHFFFAOYSA-N |
| Molecular Weight | 318.756 g/mol |
| SMILES | C1(C2=C(C=CC(=C2)Cl)OCC1C=1C=C(OC)C(=CC1)OC)=O |