| SpectraBase Compound ID | RMD7cUlkYl |
|---|---|
| InChI | InChI=1S/C10H10ClN/c11-10(8-12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-7H2 |
| InChIKey | FYBQJUBETUXGOI-UHFFFAOYSA-N |
| Mol Weight | 179.65 g/mol |
| Molecular Formula | C10H10ClN |
| Exact Mass | 179.050177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 99F70yLe0Qu |
|---|---|
| Name | Benzenebutanenitrile, .alpha.-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.050177026 u |
| Formula | C10H10ClN |
| InChI | InChI=1S/C10H10ClN/c11-10(8-12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-7H2 |
| InChIKey | FYBQJUBETUXGOI-UHFFFAOYSA-N |
| Molecular Weight | 179.650 g/mol |
| SMILES | C(CC1=CC=CC=C1)C(C#N)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971112 |