| SpectraBase Compound ID | CTB6Zmkfw6E |
|---|---|
| InChI | InChI=1S/C13H13IO2/c1-2-5-10(9-13(15)16)8-11-6-3-4-7-12(11)14/h3-4,6-7,10H,8-9H2,1H3,(H,15,16) |
| InChIKey | DOXOHYGQBXUNSB-UHFFFAOYSA-N |
| Mol Weight | 328.15 g/mol |
| Molecular Formula | C13H13IO2 |
| Exact Mass | 327.996025 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | d0Q8QHZFiY |
|---|---|
| Name | 3-(2-Iodobenzyl)-4-hexynoic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13IO2 |
| InChI | InChI=1S/C13H13IO2/c1-2-5-10(9-13(15)16)8-11-6-3-4-7-12(11)14/h3-4,6-7,10H,8-9H2,1H3,(H,15,16) |
| InChIKey | DOXOHYGQBXUNSB-UHFFFAOYSA-N |
| Molecular Weight | 328.149 g/mol |
| SMILES | OC(CC(C#CC)Cc1c(cccc1)I)=O |
| SPLASH | splash10-05mo-8980000000-a97aad300dfc4e537932 |
| Source of Spectrum | F-52-11474-8 |
| Wiley ID | 798388 |