Showing RIpred-Card for Protoporphyrin IX,1TBDMS,isomer#3 (RI00012397)

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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 IDRI00012397
Compound Identification
Common NameProtoporphyrin IX,1TBDMS,isomer#3
Structure
Average Molecular Weight676.3445
SMILESC=CC1=C(C)C2=CC3=C(C=C)C(C)=C(C=C4N=C(C=C5[NH]C(=CC1=N2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)N3[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5595.1777
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices