Showing RIpred-Card for ferrileghemoglobin,1TBDMS,isomer#4 (RI01712491)

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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 IDRI01712491
Compound Identification
Common Nameferrileghemoglobin,1TBDMS,isomer#4
Structure
Average Molecular Weight726.3025
SMILESC=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(=C)O[Si](C)(C)C(C)(C)C)C6=[N+]5[Fe+3]5(N43)N3C(=CC1=[N+]25)C(C)=C(CCC(C)=O)C3=C6
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5070.7837
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices