checkHNMR

Check a description

Compound label

SMILES

¹H NMR description

¹⁹F NMR description (if any; proton-coupled)

³¹P NMR description (if any; proton-coupled)

HRMS Any ionization method. Read: “calcd for [formula]” with [M+H]⁺, [M+Na]⁺, [M+K]⁺, [M+Li]⁺, [M+Ag]⁺, [M+NH₄]⁺, [M−H]⁻ or [M]⁺, and ions written as M plus or minus groups (e.g., [M−H₂O+H]⁺). The formula is used only if it reproduces the calculated m/z. A formula alone is not used: write the line as in the SI, e.g., “calcd for C₆H₁₁O₂ [M+H]⁺ 115.0754”.

The check runs in your browser. Nothing is uploaded or stored.

Several compounds: PDF template (Word / PDF). For the PDF check, use files written strictly in the format of this template: without the “SMILES:” lines the structures are not known and the structure checks are not done.

Checked: items 1 (partly), 3, 4 (4(b) partly) and 6 of the checklist. Not checked: items 2 and 7; item 5 is planned. What is checked and what is not