| SpectraBase Compound ID | 9DtVC3bQrlz |
|---|---|
| InChI | InChI=1S/C14H14O5/c1-17-10-4-5-11-12(7-10)19-8-9(14(11)16)3-6-13(15)18-2/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | RQCHSEUIKDFODK-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C14H14O5 |
| Exact Mass | 262.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fwFpsWB62o |
|---|---|
| Name | Methyl .beta.-(7-methoxy-4-oxo-4H-1-benzopyran-3-yl)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.084123546 u |
| Formula | C14H14O5 |
| InChI | InChI=1S/C14H14O5/c1-17-10-4-5-11-12(7-10)19-8-9(14(11)16)3-6-13(15)18-2/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | RQCHSEUIKDFODK-UHFFFAOYSA-N |
| Molecular Weight | 262.261 g/mol |
| SMILES | C=12C(C(CCC(=O)OC)=COC2=CC(=CC1)OC)=O |