Showing RIpred-Card for 131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester,1TMS,isomer#1 (RI01704003)

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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 IDRI01704003
Compound Identification
Common Name131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester,1TMS,isomer#1
Structure
Average Molecular Weight659.2706
SMILESC=CC1=C(C)C2=CC3=C(C=C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[N-]2)C(C)=C5C(=CC(=O)OC)O[Si](C)(C)C)C(CCC(=O)[O-])=C4C)[N-]3
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6522.228
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices