Current SMILES String

CC1(C2=CC=C(C=C2)OC(=O)OC3=CC=C(C=C3)C(C4=CC=C(C=C4)OC(=O)OC5=CC=C(C=C5)C(C6=CC=C(C=C6)OC(=O)OC7=CC=C(C=C7)C(C8=CC=C(C=C8)OC(=O)OC9=CC=C1C=C9)(C)C)(C)C)(C)C)C

Solvent: CCl3

Chemical Shift Scatterplot
SMILES Image

The rendered SMILES image for the query string.

Query Model

Enter a SMILES String to see Predictions

The SMILES String to pass to the model.
This is the solvent that will be used in the dashboard.
This is the model that will be used in the query.
Model Predictions and Ground Truth

The model predictions from the SMILES Query

Please log in or register to see model observations in tabular format.

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