| SpectraBase Compound ID | EiBbw32qu4t |
|---|---|
| InChI | InChI=1S/C12H12I2O3/c13-9-5-2-1-4-8(9)11(15)17-12-10(14)6-3-7-16-12/h1-2,4-5,10,12H,3,6-7H2 |
| InChIKey | AQOFDLCITQGKBI-UHFFFAOYSA-N |
| Mol Weight | 458.03 g/mol |
| Molecular Formula | C12H12I2O3 |
| Exact Mass | 457.887584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLq5yYZIOJD |
|---|---|
| Name | 3-Iodo-2H-tetrahydropyran-2-yl 2-iodobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 457.887584243 u |
| Formula | C12H12I2O3 |
| InChI | InChI=1S/C12H12I2O3/c13-9-5-2-1-4-8(9)11(15)17-12-10(14)6-3-7-16-12/h1-2,4-5,10,12H,3,6-7H2 |
| InChIKey | AQOFDLCITQGKBI-UHFFFAOYSA-N |
| Molecular Weight | 458.034 g/mol |
| SMILES | C(C=1C(I)=CC=CC1)(OC1OCCCC1I)=O |