| SpectraBase Compound ID | Kn7hmMU2IhS |
|---|---|
| InChI | InChI=1S/C9H10N2O/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,5-6,10H2 |
| InChIKey | VVUJBFUHEWGKAZ-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C9H10N2O |
| Exact Mass | 162.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E61fwutmJOK |
|---|---|
| Name | 4-(2-Aminoethoxy)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.079312949 u |
| Formula | C9H10N2O |
| InChI | InChI=1S/C9H10N2O/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,5-6,10H2 |
| InChIKey | VVUJBFUHEWGKAZ-UHFFFAOYSA-N |
| Molecular Weight | 162.192 g/mol |
| SMILES | C(N)COC1=CC=C(C=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901983 |