| SpectraBase Spectrum ID |
GzAIzIVwPUd |
| Name |
2-[2-(1,3-Butadienyl)]-N-methyl-3-nitroaniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.089877632 u |
| Formula |
C11H12N2O2 |
| InChI |
InChI=1S/C11H12N2O2/c1-4-8(2)11-9(12-3)6-5-7-10(11)13(14)15/h4-7,12H,1-2H2,3H3 |
| InChIKey |
KMNOPEXHBIVVIZ-UHFFFAOYSA-N |
| Molecular Weight |
204.229 g/mol |
| SMILES |
C=1(N(=O)=O)C(C(C=C)=C)=C(NC)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892244 |
![2-[2-(1,3-Butadienyl)]-N-methyl-3-nitroaniline](/api/spectrum/GzAIzIVwPUd/structure.png?h=300&w=458 "2-[2-(1,3-Butadienyl)]-N-methyl-3-nitroaniline")
