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Fig1. SmartDriveNMR

Fig1. SmartDriveNMR

Active decision making on-the-fly saves experiment time – simply considering the structure alone might have demanded an HSQC in both cases.

Part1 - SmartDriveNMR: Multiplets are well separated and straightforward to assign → no HSQC needed.

Part2 - SmartDriveNMR: Multiplets overlap in the CH/CH2 region, HSQC will improve confidence → setup HSQC.

Active decision making on-the-fly saves experiment time – simply considering the structure alone might have demanded an HSQC in both cases.

Part1 - SmartDriveNMR: Multiplets are well separated and straightforward to assign → no HSQC needed.

Part2 - SmartDriveNMR: Multiplets overlap in the CH/CH2 region, HSQC will improve confidence → setup HSQC.

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Fig2a. SmartDriveNMR

Fig2a. SmartDriveNMR

Select the desired level of confidence. - Set the allocated maximum spectrometer time. Setting up a structure verification task in IconNMR with SmartDriveNMR: no spectroscopic input required.

Select the desired level of confidence. - Set the allocated maximum spectrometer time. Setting up a structure verification task in IconNMR with SmartDriveNMR: no spectroscopic input required.

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Fig2b. SmartDriveNMR

Fig2b. SmartDriveNMR

Submit the molecular structure, and (if applicable) a quantification reference and known impurities. Setting up a structure verification task in IconNMR with SmartDriveNMR: no spectroscopic input required.

Submit the molecular structure, and (if applicable) a quantification reference and known impurities. Setting up a structure verification task in IconNMR with SmartDriveNMR: no spectroscopic input required.

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Fig3a. SmartDriveNMR

Fig3a. SmartDriveNMR

SmartDriveNMR runs a 1D Proton and then decides whether to acquire further scans, with solvent suppression and/or additional experiments such as multiplicity edited HSQC, 1D13C and HMBC.

SmartDriveNMR runs a 1D Proton and then decides whether to acquire further scans, with solvent suppression and/or additional experiments such as multiplicity edited HSQC, 1D13C and HMBC.

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Fig3a. SmartDriveNMR

Fig3a. SmartDriveNMR

SmartDriveNMR runs a 1D Proton and then decides whether to acquire further scans, with solvent suppression and/or additional experiments such as multiplicity edited HSQC, 1D13C and HMBC.

SmartDriveNMR runs a 1D Proton and then decides whether to acquire further scans, with solvent suppression and/or additional experiments such as multiplicity edited HSQC, 1D13C and HMBC.

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