| SpectraBase Compound ID | EK1OwLc86QP |
|---|---|
| InChI | InChI=1S/C10H6N2O2/c11-4-8(5-12)7-1-2-9-10(3-7)14-6-13-9/h1-3,8H,6H2 |
| InChIKey | YJJUCCVUSQDQSG-UHFFFAOYSA-N |
| Mol Weight | 186.17 g/mol |
| Molecular Formula | C10H6N2O2 |
| Exact Mass | 186.042927 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 | Ifes4nLuVxB |
|---|---|
| Name | 2-(1,3-Benzodioxol-5-yl)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.042927439 u |
| Formula | C10H6N2O2 |
| InChI | InChI=1S/C10H6N2O2/c11-4-8(5-12)7-1-2-9-10(3-7)14-6-13-9/h1-3,8H,6H2 |
| InChIKey | YJJUCCVUSQDQSG-UHFFFAOYSA-N |
| Molecular Weight | 186.170 g/mol |
| SMILES | C(#N)C(C=1C=C2OCOC2=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879743 |