![[p-(Dimethylamino)benzyl]malononitrile](/api/spectrum/JOUJm3Dpnma/structure.png?h=300&w=458 "[p-(Dimethylamino)benzyl]malononitrile")
| SpectraBase Compound ID | DbOKYWucora |
|---|---|
| InChI | InChI=1S/C12H13N3/c1-15(2)12-5-3-10(4-6-12)7-11(8-13)9-14/h3-6,11H,7H2,1-2H3 |
| InChIKey | QNOBNAPUCLBRIW-UHFFFAOYSA-N |
| Mol Weight | 199.26 g/mol |
| Molecular Formula | C12H13N3 |
| Exact Mass | 199.110947 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JOUJm3Dpnma |
|---|---|
| Name | [p-(Dimethylamino)benzyl]malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.110947431 u |
| Formula | C12H13N3 |
| InChI | InChI=1S/C12H13N3/c1-15(2)12-5-3-10(4-6-12)7-11(8-13)9-14/h3-6,11H,7H2,1-2H3 |
| InChIKey | QNOBNAPUCLBRIW-UHFFFAOYSA-N |
| Molecular Weight | 199.257 g/mol |
| SMILES | C=1C(=CC=C(C1)N(C)C)CC(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.777545 |