| SpectraBase Spectrum ID |
1akGUpGrZYR |
| Name |
4-Iodophthalic acid, bis(2-butoxyethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.100883648 u |
| Formula |
C20H29IO6 |
| InChI |
InChI=1S/C20H29IO6/c1-3-5-9-24-11-13-26-19(22)17-8-7-16(21)15-18(17)20(23)27-14-12-25-10-6-4-2/h7-8,15H,3-6,9-14H2,1-2H3 |
| InChIKey |
RBOXEVYHBQVKJK-UHFFFAOYSA-N |
| Molecular Weight |
492.350 g/mol |
| SMILES |
C=1C=C(C=C(C1C(OCCOCCCC)=O)C(OCCOCCCC)=O)I |
| Spectrum/Structure Validation Score (Raman) |
0.924944 |
