Showing RIpred-Card for Fosnetupitant,1TMS,isomer#1 (RI01722479)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01722479
Compound Identification
Common NameFosnetupitant,1TMS,isomer#1
Structure
Average Molecular Weight760.2645
SMILESCC1=CC=CC=C1C1=CC(N2CC[N+](C)(COP(=O)([O-])O[Si](C)(C)C)CC2)=NC=C1N(C)C(=O)C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3919.756
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices