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    Anybody know of any good proton nmr spectra simulation software? eg. Type in a compound name/structure and it produces a simulated spectra for that compound that you can view/print out. Many thanks for any help
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    Don't use programs to predict NMR! Seriously, they will often give you the wrong answers, its much better to get a hold of real spectra.
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    MestReC give out NMR predicting software, as does ChemDraw. If you're in the position of having to predict spectra, you must be in an educational institute with at least one copy of this software.

    Though, as EierVonSatan says, nothing can beat a real spectra - your departmental library should have books full of spectra - maybe even in your labs.
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    (Original post by EierVonSatan)
    Don't use programs to predict NMR! Seriously, they will often give you the wrong answers, its much better to get a hold of real spectra.
    I was just curious about them, i'd rather get a real spectra and have a book of real one's for many different compounds but it isn't a bad tool to have around for a rough guide imo.
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    (Original post by cptbigt)
    I was just curious about them, i'd rather get a real spectra and have a book of real one's for many different compounds but it isn't a bad tool to have around for a rough guide imo.
    Nah, I've seen too many people get dependent on using it (including postgrads) it's like giving a calculator to a 5 year old then expecting them to do math.
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    (Original post by EierVonSatan)
    Nah, I've seen too many people get dependent on using it (including postgrads) it's like giving a calculator to a 5 year old then expecting them to do math.
    Haha... well it's nice to have chemdraw around for drawing structures anyway
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    If your institution has purchased access, a very good resource is SciFinder (scifinder.cas.org), which has NMR and other spectra for many, many molecules.
 
 
 
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