| SpectraBase Compound ID | IFok1UvxY5i |
|---|---|
| InChI | InChI=1S/C11H6N2O2/c12-5-9(6-13)3-8-1-2-10-11(4-8)15-7-14-10/h1-4H,7H2 |
| InChIKey | AWMFEYQOEQDZKO-UHFFFAOYSA-N |
| Mol Weight | 198.18 g/mol |
| Molecular Formula | C11H6N2O2 |
| Exact Mass | 198.042927 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | I29dD6WUsdf |
|---|---|
| Name | Piperonylidenemalononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.042927439 u |
| Formula | C11H6N2O2 |
| InChI | InChI=1S/C11H6N2O2/c12-5-9(6-13)3-8-1-2-10-11(4-8)15-7-14-10/h1-4H,7H2 |
| InChIKey | AWMFEYQOEQDZKO-UHFFFAOYSA-N |
| Molecular Weight | 198.181 g/mol |
| SMILES | C=1C(=CC=C2OCOC12)C=C(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.848103 |