| SpectraBase Spectrum ID |
A3Qs8IBTyPm |
| Name |
4-(2-Iodophenoxy)butyric acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.006589340 u |
| Formula |
C12H15IO3 |
| InChI |
InChI=1S/C12H15IO3/c1-2-15-12(14)8-5-9-16-11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey |
CKDUWOMNBUITEH-UHFFFAOYSA-N |
| Molecular Weight |
334.153 g/mol |
| SMILES |
C(=O)(OCC)CCCOC1=C(I)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958514 |
