| SpectraBase Compound ID | 6jwhQdQWK4p |
|---|---|
| InChI | InChI=1S/C12H8N2/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)12/h1-4H,5-6H2 |
| InChIKey | LCLMCAQMRSYSBG-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C12H8N2 |
| Exact Mass | 180.068748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8miOmwlGu2T |
|---|---|
| Name | .Delta.1,.alpha.-indanmalononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.068748266 u |
| Formula | C12H8N2 |
| InChI | InChI=1S/C12H8N2/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)12/h1-4H,5-6H2 |
| InChIKey | LCLMCAQMRSYSBG-UHFFFAOYSA-N |
| Molecular Weight | 180.210 g/mol |
| SMILES | C(#N)C(C#N)=C1C2=C(C=CC=C2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94498 |