Chem webook plus#
> list of measured RIs plus on which column they were measuredĮ.g. > stereoisomers=XXX (list of stereoisomers)
> InChiKey="CIIYOYPOMGIECX-JXQTWKCFSA-N" "IUPAC Standard InChIKey:\nCIIYOYPOMGIECX-JXQTWKCFSA-N" If (molfile3d=character(0)) molfile3d=NAįrom the following bits of the raw output I would then like to extract the following variables & lists: "name=\" Top \">Caryophylladienol II" Molfile3d=readLines(paste("",casno2,sep="")) If (jcampfile]="#TITLE=Spectrum not found.") jcampfile=NA
Jcampfile = readLines(paste("",casno2,"&Index=0&Type=Mass",sep="")) I would like to retrieve information associated with a given CAS registry number (Chemical Abstracts Service nr) from the NIST webbook web site in R, using the provided API.Į.g.
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