![4-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid](/api/spectrum/B6kPYW29kQb/structure.png?h=300&w=458 "4-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid")
| SpectraBase Compound ID | AG55QTxRGC0 |
|---|---|
| InChI | InChI=1S/C18H14O5/c1-11-8-17(19)23-16-9-14(6-7-15(11)16)22-10-12-2-4-13(5-3-12)18(20)21/h2-9H,10H2,1H3,(H,20,21) |
| InChIKey | VYVQQZMKVHGRJA-UHFFFAOYSA-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 | B6kPYW29kQb |
|---|---|
| Name | 4-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid |
| 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/c1-11-8-17(19)23-16-9-14(6-7-15(11)16)22-10-12-2-4-13(5-3-12)18(20)21/h2-9H,10H2,1H3,(H,20,21) |
| InChIKey | VYVQQZMKVHGRJA-UHFFFAOYSA-N |
| SMILES | OC(C1=CC=C(COC=2C=C3OC(=O)C=C(C3=CC2)C)C=C1)=O |