| SpectraBase Compound ID | 1U4om9040Zs |
|---|---|
| InChI | InChI=1S/C8H11Cl2N/c1-2-3-4-5-6-8(9,10)7-11/h2H,1,3-6H2 |
| InChIKey | UUNLOHPTZXBGGK-UHFFFAOYSA-N |
| Mol Weight | 192.09 g/mol |
| Molecular Formula | C8H11Cl2N |
| Exact Mass | 191.026855 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5c7cJOiUZCY |
|---|---|
| Name | 7-Octenenitrile, 2,2-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.026854758 u |
| Formula | C8H11Cl2N |
| InChI | InChI=1S/C8H11Cl2N/c1-2-3-4-5-6-8(9,10)7-11/h2H,1,3-6H2 |
| InChIKey | UUNLOHPTZXBGGK-UHFFFAOYSA-N |
| Molecular Weight | 192.089 g/mol |
| SMILES | C(#N)C(Cl)(Cl)CCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817589 |