A Matter of Interpretation

Spectral Problem 8-1

Figure P8-1.1 1H-NMR Spectrum with Integration Indicated in Red and Overlaid with Shift Table

NMR spectrum with integration

The shift table is adapted from http://chemwiki.ucdavis.edu/Core/Physical_Chemistry/Spectroscopy/Magnetic_Resonance_Spectroscopies/Nuclear_Magnetic_Resonance/NMR%3A_Experimental/NMR%3A_Interpretation

Figure P8-1.2 13C-NMR Spectrum with Shift Table

NMR spectrum

The shift table is adapted from http://chemwiki.ucdavis.edu/Core/Physical_Chemistry/Spectroscopy/Magnetic_Resonance_Spectroscopies/Nuclear_Magnetic_Resonance/NMR%3A_Experimental/NMR%3A_Interpretation

Type the molecular formula for this unknown compound in the box to the right. List C first followed by the number, then H followed by a number, then the other elements alphabetically.
Which functional groups are present in this compound? [Check all that apply] No function | Alkene | Aromatic | Alkyne | Alcohol | Phenol | Ether | Anhydride | Ester | Acid | Aldehyde | Ketone | Amine | Amide | Nitrile | Thiol | Thioether | Thioketone | Thioester | Halogen

Draw the structure of the compound in the JSME panel below. To check your structure against the correct answer, click the button denoted with blue pair of arrow in the top horizontal toolbar of the JSME window. Choose to "Copy as SMILES" and do the ctrl-c per the dialogue box instructions. Paste (ctrl-v) the SMILES in the box below the JSME panel and to the right of the red arrow. Then be sure to click "Check my SMILES." Correct answers give a popup affirmation. Incorrect answers give hints. Clear out the box containing the SMILES in between attempts or else refresh the page in your browser.

Isotopic Abundance / Rings + Double Bonds / Even or Odd Electron Calculator

Below is a very handy tool for interpreting a mass spectrum. You will want to practice without the tool to polish your skills; however, this calculator is great for testing different formulas of ions and matching them with the spectrum.

Formula: C H N O F Cl Br I
Alkali, Alkaline Earth:    []          []
Representative 3rd:      []           []   
Representative 4th:   []        []
Transition Metals:     []        []   


e/o = even or odd electron species assuming electron impact ionization
dbr = double bonds and rings

The isotopic abundance/r+db/even or odd calculator was written by: T. W. Shattuck, Colby College Chemistry and Los Alamos National Laboratory, 11/19/2000

Portions of this page were adapted from GNU-General Public Licensed work from https://www.dougv.com/2006/12/fun-with-javascript-a-simple-test-quiz-script-to-demonstrate-dom-form-handling/