Current SMILES String

[H]O[C@]1(C([H])([H])OC(=O)[C@]([H])(OC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])C(OC(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])=C2C(=C([H])O[C@@]([H])(OC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]12[H])C([H])([H])OC(=O)C([H])([H])[H]

Solvent: unknown

Chemical Shift Scatterplot

SMILES Image

The rendered SMILES image for the query string.

Query Model

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Model Predictions and Ground Truth

The model predictions from the SMILES Query

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