| SpectraBase Spectrum ID |
79tBkIaw7J1 |
| Name |
2,4-Dinitro-1-(p-tolyloxy)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.058971425 u |
| Formula |
C13H10N2O5 |
| InChI |
InChI=1S/C13H10N2O5/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3 |
| InChIKey |
CEKPDDJQMYRXPN-UHFFFAOYSA-N |
| Molecular Weight |
274.232 g/mol |
| SMILES |
C1=C(OC2=CC=C(C=C2)C)C(=CC(=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943911 |
