| SpectraBase Compound ID | C0bNltwTgRh |
|---|---|
| InChI | InChI=1S/C13H8ClIO2/c14-10-3-1-2-9(8-10)13(16)17-12-6-4-11(15)5-7-12/h1-8H |
| InChIKey | VTXYARLVLGVMNQ-UHFFFAOYSA-N |
| Mol Weight | 358.56 g/mol |
| Molecular Formula | C13H8ClIO2 |
| Exact Mass | 357.925752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7FO8mqralpY |
|---|---|
| Name | 3-Chloro-benzoic acid 4-iodo-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.925752196 u |
| Formula | C13H8ClIO2 |
| InChI | InChI=1S/C13H8ClIO2/c14-10-3-1-2-9(8-10)13(16)17-12-6-4-11(15)5-7-12/h1-8H |
| InChIKey | VTXYARLVLGVMNQ-UHFFFAOYSA-N |
| Molecular Weight | 358.562 g/mol |
| SMILES | C1(C(OC=2C=CC(=CC2)I)=O)=CC(=CC=C1)Cl |