| SpectraBase Compound ID | 9yH3Gmd2L2t |
|---|---|
| InChI | InChI=1S/C14H27N/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h12-14H,5-10H2,1-4H3 |
| InChIKey | PWCNRALBCUNRJE-UHFFFAOYSA-N |
| Mol Weight | 209.38 g/mol |
| Molecular Formula | C14H27N |
| Exact Mass | 209.21435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A1Ayp3MRejU |
|---|---|
| Name | 2,6,10-Trimethylundecanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.214349873 u |
| Formula | C14H27N |
| InChI | InChI=1S/C14H27N/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h12-14H,5-10H2,1-4H3 |
| InChIKey | PWCNRALBCUNRJE-UHFFFAOYSA-N |
| Molecular Weight | 209.377 g/mol |
| SMILES | C(#N)C(CCCC(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959531 |