Showing RIpred-Card for 3''-deamino-3''-oxonicotianamine,1TBDMS,isomer#1 (RI01708256)

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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 IDRI01708256
Compound Identification
Common Name3''-deamino-3''-oxonicotianamine,1TBDMS,isomer#1
Structure
Average Molecular Weight412.1671
SMILESCC(C)(C)[Si](C)(C)OC(=CC[N+]C(CC[N+]1CCC1C(=O)[O-])C(=O)[O-])C(=O)[O-]
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index2559.7031
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices