Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01708745
Compound Identification
Common Name4-amino-2,6-dinitrotoluene glucoside,5TMS,isomer#1
Structure
Average Molecular Weight719.2941
SMILESCC1=C([N+](=O)[O-])C=C(N(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)[Si](C)(C)C)C=C1[N+](=O)[O-]
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3163.013
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices