| SpectraBase Compound ID | 3oVX4uZMlNt |
|---|---|
| InChI | InChI=1S/C11H10N2/c1-11(8-12,9-13)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3 |
| InChIKey | VSYWUKYBSLCYCF-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C11H10N2 |
| Exact Mass | 170.084398 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3hFDbVB3vzC |
|---|---|
| Name | 2-Benzyl-2-methyl-propanedinitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.084398330 u |
| Formula | C11H10N2 |
| InChI | InChI=1S/C11H10N2/c1-11(8-12,9-13)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3 |
| InChIKey | VSYWUKYBSLCYCF-UHFFFAOYSA-N |
| Molecular Weight | 170.215 g/mol |
| SMILES | C(C(C#N)(C)CC=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927655 |