| SpectraBase Spectrum ID |
JYdvQchkb68 |
| Name |
2-Methoxy-3,4-dimethyl-1,5-dinitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.058971425 u |
| Formula |
C9H10N2O5 |
| InChI |
InChI=1S/C9H10N2O5/c1-5-6(2)9(16-3)8(11(14)15)4-7(5)10(12)13/h4H,1-3H3 |
| InChIKey |
VWZKNASQBLICJM-UHFFFAOYSA-N |
| Molecular Weight |
226.188 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=C(C(=C1OC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946613 |
