| SpectraBase Compound ID | GztSdn504oZ |
|---|---|
| InChI | InChI=1S/C11H13N/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 |
| InChIKey | GYAZXRQVMSVZQX-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C11H13N |
| Exact Mass | 159.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hhu6IAQqnoB |
|---|---|
| Name | 2,2-Dimethyl-3-phenyl-propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.104799423 u |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 |
| InChIKey | GYAZXRQVMSVZQX-UHFFFAOYSA-N |
| Molecular Weight | 159.232 g/mol |
| SMILES | C(#N)C(CC=1C=CC=CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873661 |