| SpectraBase Compound ID | 2MZo1DubTLE |
|---|---|
| InChI | InChI=1S/C8H15N/c1-7(5-6-9)8(2,3)4/h7H,5H2,1-4H3 |
| InChIKey | INIVSIWQEQEWLR-UHFFFAOYSA-N |
| Mol Weight | 125.21 g/mol |
| Molecular Formula | C8H15N |
| Exact Mass | 125.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 65fvHPurQJb |
|---|---|
| Name | 3,4,4-Trimethylpentanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.120449487 u |
| Formula | C8H15N |
| InChI | InChI=1S/C8H15N/c1-7(5-6-9)8(2,3)4/h7H,5H2,1-4H3 |
| InChIKey | INIVSIWQEQEWLR-UHFFFAOYSA-N |
| Molecular Weight | 125.215 g/mol |
| SMILES | C(CC(C(C)(C)C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963328 |