| SpectraBase Compound ID | BQo0r2Y2TON |
|---|---|
| InChI | InChI=1S/C12H19N/c1-11-7-3-4-8-12(11,2)9-5-6-10-13/h1,3-9H2,2H3 |
| InChIKey | QNKXKYZCYDIDAX-UHFFFAOYSA-N |
| Mol Weight | 177.29 g/mol |
| Molecular Formula | C12H19N |
| Exact Mass | 177.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ET6AvPacyF7 |
|---|---|
| Name | 4-(1-Methyl-2-methylenecyclohexyl)butyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.151749616 u |
| Formula | C12H19N |
| InChI | InChI=1S/C12H19N/c1-11-7-3-4-8-12(11,2)9-5-6-10-13/h1,3-9H2,2H3 |
| InChIKey | QNKXKYZCYDIDAX-UHFFFAOYSA-N |
| Molecular Weight | 177.291 g/mol |
| SMILES | C(#N)CCCC1(C(=C)CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861221 |