| SpectraBase Compound ID | 5x3TMyPKuDD |
|---|---|
| InChI | InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h7H,1-6H2 |
| InChIKey | MJEHNYBFAHOADC-UHFFFAOYSA-N |
| Mol Weight | 135.21 g/mol |
| Molecular Formula | C9H13N |
| Exact Mass | 135.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KubE31dhfeN |
|---|---|
| Name | 2-Cyclohexylidenethylcyanide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.104799423 u |
| Formula | C9H13N |
| InChI | InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h7H,1-6H2 |
| InChIKey | MJEHNYBFAHOADC-UHFFFAOYSA-N |
| Molecular Weight | 135.210 g/mol |
| SMILES | C(#N)CC=C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947778 |