| SpectraBase Compound ID | FgOxwZgEuNG |
|---|---|
| InChI | InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3 |
| InChIKey | ROSXARVHJNYYDO-UHFFFAOYSA-N |
| Mol Weight | 447.01 g/mol |
| Molecular Formula | C10H11I2NO3 |
| Exact Mass | 446.882833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Ch39AWejua |
|---|---|
| Name | 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.882833215 u |
| Formula | C10H11I2NO3 |
| InChI | InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3 |
| InChIKey | ROSXARVHJNYYDO-UHFFFAOYSA-N |
| Molecular Weight | 447.011 g/mol |
| SMILES | C1=C(C(C(=CN1CC(=O)OCCC)I)=O)I |