| SpectraBase Compound ID | 3QH74w7jyYd |
|---|---|
| InChI | InChI=1S/C15H29N/c1-4-5-6-7-8-10-14(2)11-9-12-15(3)13-16/h14-15H,4-12H2,1-3H3 |
| InChIKey | GEGWVNBMEQQRHQ-UHFFFAOYSA-N |
| Mol Weight | 223.4 g/mol |
| Molecular Formula | C15H29N |
| Exact Mass | 223.23 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4HiL8RVBg2a |
|---|---|
| Name | 2,6-Dimethyltridecanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.229999938 u |
| Formula | C15H29N |
| InChI | InChI=1S/C15H29N/c1-4-5-6-7-8-10-14(2)11-9-12-15(3)13-16/h14-15H,4-12H2,1-3H3 |
| InChIKey | GEGWVNBMEQQRHQ-UHFFFAOYSA-N |
| Molecular Weight | 223.404 g/mol |
| SMILES | C(CCCC(C)C#N)(CCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899892 |