| SpectraBase Compound ID | 7BSVnykHvN1 |
|---|---|
| InChI | InChI=1S/C8H13IO/c1-6(2)7(9)5-8(3,4)10/h5,10H,1H2,2-4H3/b7-5- |
| InChIKey | VPTNBGLCKVFBMA-ALCCZGGFSA-N |
| Mol Weight | 252.1 g/mol |
| Molecular Formula | C8H13IO |
| Exact Mass | 252.00111 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kk1FpFJr1eo |
|---|---|
| Name | 3-Iodo-2,5-dimethylhexa-1,3-dien-5-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.001110038 u |
| Formula | C8H13IO |
| InChI | InChI=1S/C8H13IO/c1-6(2)7(9)5-8(3,4)10/h5,10H,1H2,2-4H3/b7-5- |
| InChIKey | VPTNBGLCKVFBMA-ALCCZGGFSA-N |
| Molecular Weight | 252.095 g/mol |
| SMILES | C(\C(=C\C(O)(C)C)I)(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960752 |