| SpectraBase Spectrum ID |
5rS3vPFhCsz |
| Name |
Glutaric acid, ethyl 2-iodobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.017154023 u |
| Formula |
C14H17IO4 |
| InChI |
InChI=1S/C14H17IO4/c1-2-18-13(16)8-5-9-14(17)19-10-11-6-3-4-7-12(11)15/h3-4,6-7H,2,5,8-10H2,1H3 |
| InChIKey |
ZHUTXPICLQVVLY-UHFFFAOYSA-N |
| Molecular Weight |
376.190 g/mol |
| SMILES |
C(OCC1=C(C=CC=C1)I)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904137 |
