![Coumaran-7-ol-3-one, 2-[4-methoxybenzylidene]-6-methoxy-](/api/spectrum/DSyrQGi4RnZ/structure.png?h=300&w=458 "Coumaran-7-ol-3-one, 2-[4-methoxybenzylidene]-6-methoxy-")
| SpectraBase Compound ID | 9vp6lfVVdrN |
|---|---|
| InChI | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)9-14-15(18)12-7-8-13(21-2)16(19)17(12)22-14/h3-9,19H,1-2H3/b14-9- |
| InChIKey | NWBWJAGUIQYUOA-ZROIWOOFSA-N |
| Mol Weight | 298.29 g/mol |
| Molecular Formula | C17H14O5 |
| Exact Mass | 298.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSyrQGi4RnZ |
|---|---|
| Name | Coumaran-7-ol-3-one, 2-[4-methoxybenzylidene]-6-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084123546 u |
| Formula | C17H14O5 |
| InChI | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)9-14-15(18)12-7-8-13(21-2)16(19)17(12)22-14/h3-9,19H,1-2H3/b14-9- |
| InChIKey | NWBWJAGUIQYUOA-ZROIWOOFSA-N |
| Molecular Weight | 298.294 g/mol |
| SMILES | C12=C(C(=C(C=C2)OC)O)O\C(C1=O)=C\C=1C=CC(=CC1)OC |