| SpectraBase Compound ID | gmk8twcx96 |
|---|---|
| InChI | InChI=1S/C8H13IO2/c1-2-3-4-5-7(9)6-8(10)11/h5H,2-4,6H2,1H3,(H,10,11)/b7-5- |
| InChIKey | WOYBHKVJXFFPQH-ALCCZGGFSA-N |
| Mol Weight | 268.09 g/mol |
| Molecular Formula | C8H13IO2 |
| Exact Mass | 267.996025 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7RL95sieNuQ |
|---|---|
| Name | (Z)-3-Iodo-3-octenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.996024657 u |
| Formula | C8H13IO2 |
| InChI | InChI=1S/C8H13IO2/c1-2-3-4-5-7(9)6-8(10)11/h5H,2-4,6H2,1H3,(H,10,11)/b7-5- |
| InChIKey | WOYBHKVJXFFPQH-ALCCZGGFSA-N |
| Molecular Weight | 268.094 g/mol |
| SMILES | C(C\C(=C\CCCC)I)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921899 |