| SpectraBase Spectrum ID |
AMp3oADL2oR |
| Name |
4-Iodophenyl-.beta.-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.996024657 u |
| Formula |
C15H13IO2 |
| InChI |
InChI=1S/C15H13IO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2 |
| InChIKey |
JAWYGGJMVDSHCS-UHFFFAOYSA-N |
| Molecular Weight |
352.171 g/mol |
| SMILES |
C1=C(C=CC(=C1)I)OC(=O)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913045 |
