| SpectraBase Compound ID | BnsZMvJbNlr |
|---|---|
| InChI | InChI=1S/C10H8ClN/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-6H,1H3/b8-6+ |
| InChIKey | GIASFKRHARRGGN-SOFGYWHQSA-N |
| Mol Weight | 177.63 g/mol |
| Molecular Formula | C10H8ClN |
| Exact Mass | 177.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IZJEW7QkJFg |
|---|---|
| Name | 2-Butenenitrile, 3-(4-chlorophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.034526962 u |
| Formula | C10H8ClN |
| InChI | InChI=1S/C10H8ClN/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-6H,1H3/b8-6+ |
| InChIKey | GIASFKRHARRGGN-SOFGYWHQSA-N |
| Molecular Weight | 177.634 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)\C(=C\C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818814 |