| SpectraBase Compound ID | 4iVaGwUGUBN |
|---|---|
| InChI | InChI=1S/C12H6N2O/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)15-12/h1-6H |
| InChIKey | DGOGRNQPIVBVLB-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C12H6N2O |
| Exact Mass | 194.048013 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7WbbPiH9jMZ |
|---|---|
| Name | Propanedinitrile, 2-(2H-1-benzopyran-2-ylidene)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.048012820 u |
| Formula | C12H6N2O |
| InChI | InChI=1S/C12H6N2O/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)15-12/h1-6H |
| InChIKey | DGOGRNQPIVBVLB-UHFFFAOYSA-N |
| Molecular Weight | 194.193 g/mol |
| SMILES | C(#N)C(C#N)=C1OC2=CC=CC=C2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950441 |