| SpectraBase Spectrum ID |
At5RKK7K2Aj |
| Name |
2-Propenenitrile, 3-[4-(dimethylamino)phenyl]-2-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.085126604 u |
| Formula |
C11H11N3O2 |
| InChI |
InChI=1S/C11H11N3O2/c1-13(2)10-5-3-9(4-6-10)7-11(8-12)14(15)16/h3-7H,1-2H3/b11-7+ |
| InChIKey |
ULVHVXMIOXWRTC-YRNVUSSQSA-N |
| Molecular Weight |
217.228 g/mol |
| SMILES |
C1=CC(=CC=C1N(C)C)\C=C/(N(=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951913 |
![2-Propenenitrile, 3-[4-(dimethylamino)phenyl]-2-nitro-](/api/spectrum/At5RKK7K2Aj/structure.png?h=300&w=458 "2-Propenenitrile, 3-[4-(dimethylamino)phenyl]-2-nitro-")
