| SpectraBase Spectrum ID |
CLlzKumIRyf |
| Name |
Salicylic acid, 5-iodo-, methyl ester, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.954553766 u |
| Formula |
C10H9IO4 |
| InChI |
InChI=1S/C10H9IO4/c1-6(12)15-9-4-3-7(11)5-8(9)10(13)14-2/h3-5H,1-2H3 |
| InChIKey |
XZPUGLSFEQHHEM-UHFFFAOYSA-N |
| Molecular Weight |
320.082 g/mol |
| SMILES |
C(OC1=C(C(OC)=O)C=C(C=C1)I)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93466 |
