| SpectraBase Compound ID | 64GnCwLvGAd |
|---|---|
| InChI | InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3 |
| InChIKey | RBGSZIRWNWQDOK-UHFFFAOYSA-N |
| Mol Weight | 193.68 g/mol |
| Molecular Formula | C11H12ClN |
| Exact Mass | 193.065827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FSniI4DOogD |
|---|---|
| Name | 2-(p-Chlorophenyl)-3-methylbutyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.065827090 u |
| Formula | C11H12ClN |
| InChI | InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3 |
| InChIKey | RBGSZIRWNWQDOK-UHFFFAOYSA-N |
| Molecular Weight | 193.677 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)C(C(C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877554 |