When you are working with a compound, Chenomx NMR Suite will often display a relevant reference card in the “Reference Cards”. You can use the Reference Card Editor to create your own custom reference cards, which can be applied to your custom compounds or even used to override the default Chenomx reference cards.
Custom reference cards are saved as .xmc files on your file system and can be opened and saved by Reference Card Editor.
A new folder will be created in on your computer for storing and accessing your custom reference cards. This folder is your Custom Reference Cards Location, and it can be configured in “Preferences”.
Any custom reference card that you save in the Custom Reference Cards Location will be automatically loaded by Chenomx NMR Suite.
There are four required details that need to be filled out before a reference card can be saved.
Required Details
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Chenomx Compound ID needs to be the same as the Chenomx Compound ID assigned to your custom compound in Compound Builder. Note that this is not a required field when creating a new compound in Compound Builder, so you may need to go back to each custom compound and assign it a Chenomx Compound ID before continuing. You should always assign Chenomx Compound IDs that are higher than 100000.
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Common Name is the name of the compound that you wish to see as the header in your custom reference card.
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Formula is the molecular formula for your custom compound. This field will take atoms and number of atoms that make up the custom compound. (ie. C2O2H4)
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Weight is the molecular weight of the custom compound in Daltons. Note this is used in Profiler to calculate mass concentration units.
There are additional optional details that can be added to your custom reference card.
Optional Details
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IUPAC Name is the IUPAC (www.iupac.org) name for the custom compound.
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CAS Registry is the unique CAS registry number for your custom compound.
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InChI String is the IUPAC International Chemical Identifier for your custom compound.
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SMILES String is the Simplified Molecular Input Line Entry System string for your custom compound.
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Structure Image File is the file that shows the chemical structure of your custom compound. This file can either be a JPEG, PNG, GIF or SVG image type.