![propanoic acid, 2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-](/api/spectrum/HesXptnfR97/structure.png?h=300&w=458 "propanoic acid, 2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-")
| SpectraBase Compound ID | 2BMtdzF7soH |
|---|---|
| InChI | InChI=1S/C14H14O5/c1-7-8(2)14(17)19-12-6-10(4-5-11(7)12)18-9(3)13(15)16/h4-6,9H,1-3H3,(H,15,16) |
| InChIKey | HMPAASQVCHUFME-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 | HesXptnfR97 |
|---|---|
| Name | Propanoic acid, 2-[(3,4-dimethyl-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 | 262.084123546 u |
| Formula | C14H14O5 |
| InChI | InChI=1S/C14H14O5/c1-7-8(2)14(17)19-12-6-10(4-5-11(7)12)18-9(3)13(15)16/h4-6,9H,1-3H3,(H,15,16) |
| InChIKey | HMPAASQVCHUFME-UHFFFAOYSA-N |
| Molecular Weight | 262.261 g/mol |
| SMILES | OC(C(OC=1C=C2OC(C(=C(C)C2=CC1)C)=O)C)=O |