![Coumaran-3-one, 6-acetoxy-2-[4-methoxybenzylidene]-](/api/spectrum/9JB4fmNaKXN/structure.png?h=300&w=458 "Coumaran-3-one, 6-acetoxy-2-[4-methoxybenzylidene]-")
| SpectraBase Compound ID | FM8CTScQSjO |
|---|---|
| InChI | InChI=1S/C18H14O5/c1-11(20)22-14-6-7-15-16(9-14)23-17(18(15)21)8-12-2-4-13(10-19)5-3-12/h2-9,19H,10H2,1H3/b17-8- |
| InChIKey | OPMXISGTXJUFBH-IUXPMGMMSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C18H14O5 |
| Exact Mass | 310.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JB4fmNaKXN |
|---|---|
| Name | Coumaran-3-one, 6-acetoxy-2-[4-methoxybenzylidene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.084123546 u |
| Formula | C18H14O5 |
| InChI | InChI=1S/C18H14O5/c1-11(20)22-14-6-7-15-16(9-14)23-17(18(15)21)8-12-2-4-13(10-19)5-3-12/h2-9,19H,10H2,1H3/b17-8- |
| InChIKey | OPMXISGTXJUFBH-IUXPMGMMSA-N |
| Molecular Weight | 310.305 g/mol |
| SMILES | C12=C(C=C(C=C2)OC(C)=O)O\C(C1=O)=C\C=1C=CC(=CC1)CO |