| SpectraBase Spectrum ID |
FHZJzOLqXD6 |
| Name |
Glutaric acid, ethyl 3-iodo-4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.027718707 u |
| Formula |
C15H19IO5 |
| InChI |
InChI=1S/C15H19IO5/c1-3-20-14(17)5-4-6-15(18)21-10-11-7-8-13(19-2)12(16)9-11/h7-9H,3-6,10H2,1-2H3 |
| InChIKey |
IELOFBZXDXWPIE-UHFFFAOYSA-N |
| Molecular Weight |
406.216 g/mol |
| SMILES |
C(OCC=1C=CC(=C(I)C1)OC)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94422 |
