| SpectraBase Compound ID | 26jbIDTieEG |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-4-23-14-7-5-13-9-15(19(20)24-17(13)11-14)12-6-8-16(21-2)18(10-12)22-3/h5-11H,4H2,1-3H3 |
| InChIKey | PMRDWHNIDHGPMM-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C19H18O5 |
| Exact Mass | 326.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTrzUsEhIj9 |
|---|---|
| Name | 3-(3,4-Dimethoxyphenyl)-7-ethoxychromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.115423675 u |
| Formula | C19H18O5 |
| InChI | InChI=1S/C19H18O5/c1-4-23-14-7-5-13-9-15(19(20)24-17(13)11-14)12-6-8-16(21-2)18(10-12)22-3/h5-11H,4H2,1-3H3 |
| InChIKey | PMRDWHNIDHGPMM-UHFFFAOYSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | C=1(C(OC=2C(C1)=CC=C(OCC)C2)=O)C1=CC(OC)=C(C=C1)OC |