| SpectraBase Compound ID | D4Lnt04EDJi |
|---|---|
| InChI | InChI=1S/C8H12INO/c1-11-8(7-10)5-3-2-4-6-9/h5H,2-4,6H2,1H3/b8-5- |
| InChIKey | MWZWNHHYTYXUQL-YVMONPNESA-N |
| Mol Weight | 265.09 g/mol |
| Molecular Formula | C8H12INO |
| Exact Mass | 264.996359 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56R7keDUvoN |
|---|---|
| Name | (Z)-7-Iodo-2-methoxy-2-heptenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.996359009 u |
| Formula | C8H12INO |
| InChI | InChI=1S/C8H12INO/c1-11-8(7-10)5-3-2-4-6-9/h5H,2-4,6H2,1H3/b8-5- |
| InChIKey | MWZWNHHYTYXUQL-YVMONPNESA-N |
| Molecular Weight | 265.094 g/mol |
| SMILES | C(#N)\C(=C\CCCCI)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945125 |