| SpectraBase Compound ID | 2f9jrsjGFO5 |
|---|---|
| InChI | InChI=1S/C12H17IO/c1-10(2)7-8-14-9-11-5-3-4-6-12(11)13/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | IVFUYHZKPNGWSF-UHFFFAOYSA-N |
| Mol Weight | 304.17 g/mol |
| Molecular Formula | C12H17IO |
| Exact Mass | 304.03241 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AdTUwV2Iw4y |
|---|---|
| Name | 2-Iodobenzyl alcohol, 3-methylbutyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.032410166 u |
| Formula | C12H17IO |
| InChI | InChI=1S/C12H17IO/c1-10(2)7-8-14-9-11-5-3-4-6-12(11)13/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | IVFUYHZKPNGWSF-UHFFFAOYSA-N |
| Molecular Weight | 304.171 g/mol |
| SMILES | C1(=CC=CC=C1COCCC(C)C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892811 |