| SpectraBase Spectrum ID |
DK9g4NSZCMs |
| Name |
Benzenamine, 4-nitro-N-nitroso-N-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.064391159 u |
| Formula |
C12H9N3O3 |
| InChI |
InChI=1S/C12H9N3O3/c16-13-14(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(17)18/h1-9H |
| InChIKey |
HDKIMHWOSSQGFS-UHFFFAOYSA-N |
| Molecular Weight |
243.222 g/mol |
| SMILES |
C1(N(N=O)C2=CC=CC=C2)=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918299 |
