| SpectraBase Spectrum ID |
H5unXz0Wk3L |
| Name |
Succinic acid, ethyl 3-iodobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.001503959 u |
| Formula |
C13H15IO4 |
| InChI |
InChI=1S/C13H15IO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3 |
| InChIKey |
SGOAARVYTKPQFG-UHFFFAOYSA-N |
| Molecular Weight |
362.163 g/mol |
| SMILES |
C(CCC(OCC1=CC=CC(=C1)I)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888239 |
