| SpectraBase Compound ID | JPk04UF4bMw |
|---|---|
| InChI | InChI=1S/C11H13I2NO3/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6/h3-4,9,15H,2,5,14H2,1H3 |
| InChIKey | SQXBQMHYZIZTER-UHFFFAOYSA-N |
| Mol Weight | 461.04 g/mol |
| Molecular Formula | C11H13I2NO3 |
| Exact Mass | 460.898483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfqUVavxpGf |
|---|---|
| Name | L-3,5-Diiodotyrosine, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.898483280 u |
| Formula | C11H13I2NO3 |
| InChI | InChI=1S/C11H13I2NO3/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6/h3-4,9,15H,2,5,14H2,1H3 |
| InChIKey | SQXBQMHYZIZTER-UHFFFAOYSA-N |
| Molecular Weight | 461.038 g/mol |
| SMILES | OC1=C(C=C(CC(C(OCC)=O)N)C=C1I)I |