![propanoic acid, 2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-](/api/spectrum/JtWy1a4IOwP/structure.png?h=300&w=458 "propanoic acid, 2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-")
| SpectraBase Compound ID | LJXTF84Vkiq |
|---|---|
| InChI | InChI=1S/C13H12O5/c1-7-5-12(14)18-11-6-9(3-4-10(7)11)17-8(2)13(15)16/h3-6,8H,1-2H3,(H,15,16) |
| InChIKey | UDYRIQUHULSYII-UHFFFAOYSA-N |
| Mol Weight | 248.23 g/mol |
| Molecular Formula | C13H12O5 |
| Exact Mass | 248.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JtWy1a4IOwP |
|---|---|
| Name | Propanoic acid, 2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.068473481 u |
| Formula | C13H12O5 |
| InChI | InChI=1S/C13H12O5/c1-7-5-12(14)18-11-6-9(3-4-10(7)11)17-8(2)13(15)16/h3-6,8H,1-2H3,(H,15,16) |
| InChIKey | UDYRIQUHULSYII-UHFFFAOYSA-N |
| Molecular Weight | 248.234 g/mol |
| SMILES | OC(C(OC=1C=C2OC(=O)C=C(C2=CC1)C)C)=O |