| SpectraBase Compound ID | DQLQC2xYHS3 |
|---|---|
| InChI | InChI=1S/C11H13IO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3 |
| InChIKey | IZXVGIVNILXQPP-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 | 87PpEND74Vw |
|---|---|
| Name | Ortho iodo isobutylbenzoate |
| 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/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3 |
| InChIKey | IZXVGIVNILXQPP-UHFFFAOYSA-N |
| Molecular Weight | 304.127 g/mol |
| SMILES | C(C1=C(C=CC=C1)I)(=O)OCC(C)C |