| SpectraBase Compound ID | ITVtdXrqYJv |
|---|---|
| InChI | InChI=1S/C11H9N3/c12-6-11(7-13)9-14-8-10-4-2-1-3-5-10/h1-5,9,14H,8H2 |
| InChIKey | UVAOTWTZTGQRNU-UHFFFAOYSA-N |
| Mol Weight | 183.21 g/mol |
| Molecular Formula | C11H9N3 |
| Exact Mass | 183.079647 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ayu10P26Hho |
|---|---|
| Name | Ethene-1,1-dicarbonitrile, 2-benzylamino- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.079647302 u |
| Formula | C11H9N3 |
| InChI | InChI=1S/C11H9N3/c12-6-11(7-13)9-14-8-10-4-2-1-3-5-10/h1-5,9,14H,8H2 |
| InChIKey | UVAOTWTZTGQRNU-UHFFFAOYSA-N |
| Molecular Weight | 183.214 g/mol |
| SMILES | C(C#N)(C#N)=CNCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826116 |