163.176 Structure elucidation
This course is in all assigned curricula part of the STEOP.
This course is in at least 1 assigned curriculum part of the STEOP.

2022W, SE, 1.0h, 1.0EC, to be held in blocked form
TUWELLectureTubeQuinn ECTS survey


  • Semester hours: 1.0
  • Credits: 1.0
  • Type: SE Seminar
  • LectureTube course
  • Format: Hybrid

Learning outcomes

After successful completion of the course, students are able to analyze the signals of NMR, IR, and mass spectra of a compound, deduce structural elements, combine these to a complete structure, and verify this result by cross-checking in all spectra.

Subject of course

Practical examples for structure elucidation of unknown molecules based on proton and carbon NMR spectra, IR spectra and electron impact mass spectra, discussion of convergent strategies for structure determination incorporating the following data: chemical shift-/coupling-/integration-information derived from NMR spectra; electron impact mass spectra: molecular weight and fragmentation, isotopic pattern, elemental composition and collisions induced dissociation; vibration types and frequencies as well as spectral ranges for various functional groups in IR spectroscopy; if required including data from chemical elemental analysis and utilization of computer-aided methods and data bases in NMR, IR and MS.

Teaching methods

Presentation of important aspects of NMR and IR spectroscopy as well as mass spectrometry by the lecturers; joint solving of combined spectral examples by lecturers and students.

Mode of examination


Additional information

Please consider the plagiarism guidelines of TU Wien when writing your seminar paper: Directive concerning the handling of plagiarism (PDF)



Course dates

Mon09:00 - 11:0009.01.2023 - 23.01.2023GM 5 Praktikum HS- TCH Strukturaufklärung
Tue09:00 - 11:0010.01.2023 - 24.01.2023GM 5 Praktikum HS- TCH Strukturaufklärung
Structure elucidation - Single appointments
Mon09.01.202309:00 - 11:00GM 5 Praktikum HS- TCH Strukturaufklärung
Tue10.01.202309:00 - 11:00GM 5 Praktikum HS- TCH Strukturaufklärung
Mon16.01.202309:00 - 11:00GM 5 Praktikum HS- TCH Strukturaufklärung
Tue17.01.202309:00 - 11:00GM 5 Praktikum HS- TCH Strukturaufklärung
Mon23.01.202309:00 - 11:00GM 5 Praktikum HS- TCH Strukturaufklärung
Tue24.01.202309:00 - 11:00GM 5 Praktikum HS- TCH Strukturaufklärung
Course is held blocked

Examination modalities

Written examination covering the contents of the lecture. During this examination, for which 120 minutes are available, three questions about the theory of the spectral methods (one point each) as well as one combined spectral example (five points) have to be solved. 7-8 points correspond to a "Very Good", 6-7 points to a "Good", 5-6 points to a "Satisfactory", 4-5 points to a "Sufficient", and less than 4 points to an "Insufficient", which means that the examination has to be repeated.

During the examination it is allowed to use a pocket calculator and a ruler; supporting tables will be provided for the examination.


DayTimeDateRoomMode of examinationApplication timeApplication modeExam
Fri14:00 - 16:0002.06.2023GM 2 Radinger Hörsaal - TCH written01.05.2023 00:01 - 29.05.2023 23:59TISSPrüfung 02.06.2023
Fri14:00 - 16:0025.08.2023GM 2 Radinger Hörsaal - TCH written31.07.2023 00:01 - 21.08.2023 23:59TISSPrüfung 25.08.2023

Course registration

Begin End Deregistration end
03.10.2022 00:00 03.02.2023 23:59

Group Registration

GroupRegistration FromTo
Hörsaalpräsenz07.01.2023 00:0030.01.2023 23:59


Study CodeSemesterPrecon.Info
033 290 Technical Chemistry 3. Semester


No lecture notes are available.