| SpectraBase Compound ID | LfjcdmQS8CV |
|---|---|
| InChI | InChI=1S/C11H13IO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3 |
| InChIKey | QHHNHUWOOFETNQ-UHFFFAOYSA-N |
| Mol Weight | 304.13 g/mol |
| Molecular Formula | C11H13IO2 |
| Exact Mass | 303.996025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvgAHrDFTSy |
|---|---|
| Name | 4-Iodobenzoic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.996024657 u |
| Formula | C11H13IO2 |
| InChI | InChI=1S/C11H13IO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3 |
| InChIKey | QHHNHUWOOFETNQ-UHFFFAOYSA-N |
| Molecular Weight | 304.127 g/mol |
| SMILES | C(OC(C)(C)C)(C1=CC=C(C=C1)I)=O |