| SpectraBase Compound ID | FsXi7238Kez |
|---|---|
| InChI | InChI=1S/C8H12IN/c1-2-3-4-5-8(9)6-7-10/h5H,2-4,6H2,1H3/b8-5+ |
| InChIKey | VKBQJADLCGJICL-VMPITWQZSA-N |
| Mol Weight | 249.1 g/mol |
| Molecular Formula | C8H12IN |
| Exact Mass | 249.001444 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hsx5qJG3aJ2 |
|---|---|
| Name | (E)-3-Iodo-3-octenenitrile |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12IN |
| InChI | InChI=1S/C8H12IN/c1-2-3-4-5-8(9)6-7-10/h5H,2-4,6H2,1H3/b8-5+ |
| InChIKey | VKBQJADLCGJICL-VMPITWQZSA-N |
| Molecular Weight | 249.095 g/mol |
| SMILES | C(#N)C\C(=C/CCCC)I |
| SPLASH | splash10-0a4j-9050000000-a63dfe461891200100cf |
| Source of Spectrum | SO-0-727-11 |
| Synonyms | (3E)-3-iodo-3-octenenitrile |
| Wiley ID | 864348 |