![Propanoic acid, 2-[4-[(5-iodo-2-pyridinyl)oxy]phenoxy]-](/api/spectrum/JMSed5Olrlh/structure.png?h=300&w=458 "Propanoic acid, 2-[4-[(5-iodo-2-pyridinyl)oxy]phenoxy]-")
| SpectraBase Compound ID | 6gxAk6B58jI |
|---|---|
| InChI | InChI=1S/C14H12INO4/c1-9(14(17)18)19-11-3-5-12(6-4-11)20-13-7-2-10(15)8-16-13/h2-9H,1H3,(H,17,18) |
| InChIKey | CQGOAXFSBDBKSR-UHFFFAOYSA-N |
| Mol Weight | 385.16 g/mol |
| Molecular Formula | C14H12INO4 |
| Exact Mass | 384.981103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMSed5Olrlh |
|---|---|
| Name | Propanoic acid, 2-[4-[(5-iodo-2-pyridinyl)oxy]phenoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.981102866 u |
| Formula | C14H12INO4 |
| InChI | InChI=1S/C14H12INO4/c1-9(14(17)18)19-11-3-5-12(6-4-11)20-13-7-2-10(15)8-16-13/h2-9H,1H3,(H,17,18) |
| InChIKey | CQGOAXFSBDBKSR-UHFFFAOYSA-N |
| Molecular Weight | 385.157 g/mol |
| SMILES | OC(C(OC1=CC=C(OC2=CC=C(C=N2)I)C=C1)C)=O |