| SpectraBase Compound ID | HAAgl0vujgz |
|---|---|
| InChI | InChI=1S/C9H9IO2/c10-4-3-7-1-2-9(12)8(5-7)6-11/h1-2,5-6,12H,3-4H2 |
| InChIKey | IJRSZXLVXGCCIR-UHFFFAOYSA-N |
| Mol Weight | 276.07 g/mol |
| Molecular Formula | C9H9IO2 |
| Exact Mass | 275.964725 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ff7PH3Oxf55 |
|---|---|
| Name | 5-(2-Iodoethyl)salicyaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.964724528 u |
| Formula | C9H9IO2 |
| InChI | InChI=1S/C9H9IO2/c10-4-3-7-1-2-9(12)8(5-7)6-11/h1-2,5-6,12H,3-4H2 |
| InChIKey | IJRSZXLVXGCCIR-UHFFFAOYSA-N |
| Molecular Weight | 276.073 g/mol |
| SMILES | C=1(C(=CC=C(C1)CCI)O)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90891 |