![Propanoic acid, 2-[4-[(5-iodo-2-pyridinyl)oxy]phenoxy]-, methyl ester](/api/spectrum/G0WYiab2qDH/structure.png?h=300&w=458 "Propanoic acid, 2-[4-[(5-iodo-2-pyridinyl)oxy]phenoxy]-, methyl ester")
| SpectraBase Compound ID | BrEIBKs8t9C |
|---|---|
| InChI | InChI=1S/C15H14INO4/c1-10(15(18)19-2)20-12-4-6-13(7-5-12)21-14-8-3-11(16)9-17-14/h3-10H,1-2H3 |
| InChIKey | YLNZAUVJIKVHSO-UHFFFAOYSA-N |
| Mol Weight | 399.18 g/mol |
| Molecular Formula | C15H14INO4 |
| Exact Mass | 398.996753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0WYiab2qDH |
|---|---|
| Name | Propanoic acid, 2-[4-[(5-iodo-2-pyridinyl)oxy]phenoxy]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.996752931 u |
| Formula | C15H14INO4 |
| InChI | InChI=1S/C15H14INO4/c1-10(15(18)19-2)20-12-4-6-13(7-5-12)21-14-8-3-11(16)9-17-14/h3-10H,1-2H3 |
| InChIKey | YLNZAUVJIKVHSO-UHFFFAOYSA-N |
| Molecular Weight | 399.184 g/mol |
| SMILES | C1(=CC=C(C=N1)I)OC1=CC=C(C=C1)OC(C)C(OC)=O |