| SpectraBase Compound ID | 2WoujuZQECe |
|---|---|
| InChI | InChI=1S/C10H17N/c1-9(7-8-11)10-5-3-2-4-6-10/h9-10H,2-7H2,1H3 |
| InChIKey | UAZVBKVLXSUGTK-UHFFFAOYSA-N |
| Mol Weight | 151.25 g/mol |
| Molecular Formula | C10H17N |
| Exact Mass | 151.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2dGYat5pxr0 |
|---|---|
| Name | 3-Cyclohexylbutanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.136099551 u |
| Formula | C10H17N |
| InChI | InChI=1S/C10H17N/c1-9(7-8-11)10-5-3-2-4-6-10/h9-10H,2-7H2,1H3 |
| InChIKey | UAZVBKVLXSUGTK-UHFFFAOYSA-N |
| Molecular Weight | 151.253 g/mol |
| SMILES | C(#N)CC(C1CCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869535 |