| SpectraBase Compound ID | Dz6QtXhGMhN |
|---|---|
| InChI | InChI=1S/C11H12N2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h2,4-7,13H,1,3,8H2 |
| InChIKey | BCEADUZMZDVNHC-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C11H12N2 |
| Exact Mass | 172.100048 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fo06PrwRoe6 |
|---|---|
| Name | N-(but-3-Enyl)-2-cyanobenzenamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.100048394 u |
| Formula | C11H12N2 |
| InChI | InChI=1S/C11H12N2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h2,4-7,13H,1,3,8H2 |
| InChIKey | BCEADUZMZDVNHC-UHFFFAOYSA-N |
| Molecular Weight | 172.231 g/mol |
| SMILES | C(#N)C1=C(NCCC=C)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938347 |