| SpectraBase Spectrum ID |
1yEAzSs6NUp |
| Name |
Benzeneacetaldehyde, .alpha.-[(dimethylamino)methylene]-4-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.084792251 u |
| Formula |
C11H12N2O3 |
| InChI |
InChI=1S/C11H12N2O3/c1-12(2)7-10(8-14)9-3-5-11(6-4-9)13(15)16/h3-8H,1-2H3/b10-7+ |
| InChIKey |
CORSHMOZKWMERI-JXMROGBWSA-N |
| Molecular Weight |
220.228 g/mol |
| SMILES |
CN(C)\C=C/(C=O)C1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876152 |
