| SpectraBase Compound ID | BM215PEvSuK |
|---|---|
| InChI | InChI=1S/C11H21N/c1-3-4-5-6-7-8-11(2)9-10-12/h11H,3-9H2,1-2H3 |
| InChIKey | MIKYASNSDCJESJ-UHFFFAOYSA-N |
| Mol Weight | 167.3 g/mol |
| Molecular Formula | C11H21N |
| Exact Mass | 167.1674 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EtL8igG2lVC |
|---|---|
| Name | 3-Methyldecanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.167399680 u |
| Formula | C11H21N |
| InChI | InChI=1S/C11H21N/c1-3-4-5-6-7-8-11(2)9-10-12/h11H,3-9H2,1-2H3 |
| InChIKey | MIKYASNSDCJESJ-UHFFFAOYSA-N |
| Molecular Weight | 167.296 g/mol |
| SMILES | CC(CC#N)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876216 |