| SpectraBase Spectrum ID |
9cYdHGQWpkH |
| Name |
Benzoic acid, 3-iodo-, 2'-[(3-iodobenzoyl)oxy][1,1'-biphenyl]-2-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
645.913798991 u |
| Formula |
C26H16I2O4 |
| InChI |
InChI=1S/C26H16I2O4/c27-19-9-5-7-17(15-19)25(29)31-23-13-3-1-11-21(23)22-12-2-4-14-24(22)32-26(30)18-8-6-10-20(28)16-18/h1-16H |
| InChIKey |
ZTASMRZGSQSHFW-UHFFFAOYSA-N |
| Molecular Weight |
646.219 g/mol |
| SMILES |
C(OC1=C(C2=C(OC(C3=CC(I)=CC=C3)=O)C=CC=C2)C=CC=C1)(C=1C=C(I)C=CC1)=O |
![Benzoic acid, 3-iodo-, 2'-[(3-iodobenzoyl)oxy][1,1'-biphenyl]-2-yl ester](/api/spectrum/9cYdHGQWpkH/structure.png?h=300&w=458 "Benzoic acid, 3-iodo-, 2'-[(3-iodobenzoyl)oxy][1,1'-biphenyl]-2-yl ester")
