| SpectraBase Compound ID | HZnM6eU8A8n |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-10-13-6-5-12(19)9-15(13)23-18(20)17(10)11-4-7-14(21-2)16(8-11)22-3/h4-9,19H,1-3H3 |
| InChIKey | AQGVQGLSKSEDGI-UHFFFAOYSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gm4u8itZ6kv |
|---|---|
| Name | 3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-10-13-6-5-12(19)9-15(13)23-18(20)17(10)11-4-7-14(21-2)16(8-11)22-3/h4-9,19H,1-3H3 |
| InChIKey | AQGVQGLSKSEDGI-UHFFFAOYSA-N |
| SMILES | C=1(C(OC=2C(C1C)=CC=C(C2)O)=O)C1=CC(=C(OC)C=C1)OC |