| SpectraBase Compound ID | 2uvyxhtfEN5 |
|---|---|
| InChI | InChI=1S/C8H13IO/c1-6(2)8(9)5-4-7(3)10/h5,7,10H,1,4H2,2-3H3/b8-5- |
| InChIKey | NWUQYQRKDYKHSM-YVMONPNESA-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 | Dmw3nSrZAdL |
|---|---|
| Name | (4Z)-5-Iodanyl-6-methyl-hepta-4,6-dien-2-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)8(9)5-4-7(3)10/h5,7,10H,1,4H2,2-3H3/b8-5- |
| InChIKey | NWUQYQRKDYKHSM-YVMONPNESA-N |
| Molecular Weight | 252.095 g/mol |
| SMILES | C(\C=C\(C(=C)C)I)C(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962609 |