| SpectraBase Compound ID | 2kq0hp7pgE |
|---|---|
| InChI | InChI=1S/C12H17IO/c1-2-3-6-9-14-10-11-7-4-5-8-12(11)13/h4-5,7-8H,2-3,6,9-10H2,1H3 |
| InChIKey | KCYVWAQEEXDRIH-UHFFFAOYSA-N |
| Mol Weight | 304.17 g/mol |
| Molecular Formula | C12H17IO |
| Exact Mass | 304.03241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mlkeWY5WZZ |
|---|---|
| Name | 2-Iodobenzyl alcohol, N-pentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.032410166 u |
| Formula | C12H17IO |
| InChI | InChI=1S/C12H17IO/c1-2-3-6-9-14-10-11-7-4-5-8-12(11)13/h4-5,7-8H,2-3,6,9-10H2,1H3 |
| InChIKey | KCYVWAQEEXDRIH-UHFFFAOYSA-N |
| Molecular Weight | 304.171 g/mol |
| SMILES | C1(=CC=CC=C1COCCCCC)I |