| SpectraBase Compound ID | QdC7A2fcNi |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-20-14-8-7-11(10-16(14)22-3)13-9-12-5-4-6-15(21-2)17(12)23-18(13)19/h4-10H,1-3H3 |
| InChIKey | PLZMPTVQPGFVSD-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 | Ik9jmzfMz80 |
|---|---|
| Name | 3-(3,4-Dimethoxyphenyl)-8-methoxychromen-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/c1-20-14-8-7-11(10-16(14)22-3)13-9-12-5-4-6-15(21-2)17(12)23-18(13)19/h4-10H,1-3H3 |
| InChIKey | PLZMPTVQPGFVSD-UHFFFAOYSA-N |
| SMILES | C=1(C(OC=2C(C1)=CC=CC2OC)=O)C1=CC(OC)=C(C=C1)OC |