| SpectraBase Spectrum ID |
CUJ9seepalQ |
| Name |
o-(2,4-Dinitrophenoxy)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.054220397 u |
| Formula |
C12H9N3O5 |
| InChI |
InChI=1S/C12H9N3O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H,13H2 |
| InChIKey |
CHDNKGAVLUPKJV-UHFFFAOYSA-N |
| Molecular Weight |
275.220 g/mol |
| SMILES |
C1=C(OC2=CC=C(C=C2N(=O)=O)N(=O)=O)C(=CC=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941359 |
