| SpectraBase Compound ID | 458o6RKjF7r |
|---|---|
| InChI | InChI=1S/C21H23IO4/c1-2-3-4-7-14-25-20(23)16-10-12-17(13-11-16)21(24)26-15-18-8-5-6-9-19(18)22/h5-6,8-13H,2-4,7,14-15H2,1H3 |
| InChIKey | UPBFOMATGPMVOG-UHFFFAOYSA-N |
| Mol Weight | 466.32 g/mol |
| Molecular Formula | C21H23IO4 |
| Exact Mass | 466.064104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1NR5KzqskA3 |
|---|---|
| Name | Terephthalic acid, hexyl 2-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 466.064104217 u |
| Formula | C21H23IO4 |
| InChI | InChI=1S/C21H23IO4/c1-2-3-4-7-14-25-20(23)16-10-12-17(13-11-16)21(24)26-15-18-8-5-6-9-19(18)22/h5-6,8-13H,2-4,7,14-15H2,1H3 |
| InChIKey | UPBFOMATGPMVOG-UHFFFAOYSA-N |
| Molecular Weight | 466.315 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCC)=O)C(=O)OCC1=C(C=CC=C1)I |