![[(3'-Benzoyl-4'-oxo-4H-chromen-2'-yl)methyl]acetate](/api/spectrum/C56OMNWHnLw/structure.png?h=300&w=458 "[(3'-Benzoyl-4'-oxo-4H-chromen-2'-yl)methyl]acetate")
| SpectraBase Compound ID | 2OzMLSJou0c |
|---|---|
| InChI | InChI=1S/C19H14O5/c1-12(20)23-11-16-17(18(21)13-7-3-2-4-8-13)19(22)14-9-5-6-10-15(14)24-16/h2-10H,11H2,1H3 |
| InChIKey | IYOLNKPPQZVXLD-UHFFFAOYSA-N |
| Mol Weight | 322.32 g/mol |
| Molecular Formula | C19H14O5 |
| Exact Mass | 322.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C56OMNWHnLw |
|---|---|
| Name | [(3'-Benzoyl-4'-oxo-4H-chromen-2'-yl)methyl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.084123546 u |
| Formula | C19H14O5 |
| InChI | InChI=1S/C19H14O5/c1-12(20)23-11-16-17(18(21)13-7-3-2-4-8-13)19(22)14-9-5-6-10-15(14)24-16/h2-10H,11H2,1H3 |
| InChIKey | IYOLNKPPQZVXLD-UHFFFAOYSA-N |
| Molecular Weight | 322.316 g/mol |
| SMILES | C=1(C(C2=CC=CC=C2OC1COC(=O)C)=O)C(=O)C1=CC=CC=C1 |