| SpectraBase Compound ID | 4B4aqdUEgq2 |
|---|---|
| InChI | InChI=1S/C11H14N2/c1-11(13,9-12)8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3 |
| InChIKey | JMCYTAOQUAUQGB-UHFFFAOYSA-N |
| Mol Weight | 174.25 g/mol |
| Molecular Formula | C11H14N2 |
| Exact Mass | 174.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 20nl3AfzG3t |
|---|---|
| Name | 2-Amino-2-methyl-4-phenylbutanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.115698459 u |
| Formula | C11H14N2 |
| InChI | InChI=1S/C11H14N2/c1-11(13,9-12)8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3 |
| InChIKey | JMCYTAOQUAUQGB-UHFFFAOYSA-N |
| Molecular Weight | 174.247 g/mol |
| SMILES | C(#N)C(N)(CCC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957099 |