| SpectraBase Compound ID | L2i93eVvlgh |
|---|---|
| InChI | InChI=1S/C21H17IO3/c1-15(23)25-21-12-11-17(22)13-19(21)18-9-5-6-10-20(18)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3 |
| InChIKey | YFMWGVZGVUVCKM-UHFFFAOYSA-N |
| Mol Weight | 444.27 g/mol |
| Molecular Formula | C21H17IO3 |
| Exact Mass | 444.022239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7gm8xs3aEMv |
|---|---|
| Name | 2-Acetoxy-2'-(benzyloxy)-5-iodobiphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.022239404 u |
| Formula | C21H17IO3 |
| InChI | InChI=1S/C21H17IO3/c1-15(23)25-21-12-11-17(22)13-19(21)18-9-5-6-10-20(18)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3 |
| InChIKey | YFMWGVZGVUVCKM-UHFFFAOYSA-N |
| Molecular Weight | 444.268 g/mol |
| SMILES | C=1(C(=CC=C(C1)I)OC(=O)C)C=1C(=CC=CC1)OCC=1C=CC=CC1 |