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Published in:
Mass Spectrometry Read chapter Read first chapter

2012 | OriginalPaper | Chapter

5. Molecular Structure Determination by Means of Combined Application of Methods

Authors : Manfred Reichenbächer, Jürgen Popp

Published in: Challenges in Molecular Structure Determination

Publisher: Springer Berlin Heidelberg

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Excerpt

Method
Information
MS
• N rule
• N-specific fragment ions and fragment loss peaks
⇒ Mass correlation (Tables 6.​3 and Tables 6.​4)
IR
Characteristic vibrations
⇒ Table 6.​15
ν as + ν s(NH2), δ(NH2)
1° Amine or amide
ν(NH)
2° Amine or amide
ν as + ν s(NO2)
Nitro compounds
ν(N=O)
Nitroso compounds
ν(N≡C)
Nitriles (frequently very weak)
UV–VIS
N containing base chromophore
N-heterocyclic compounds
Polymethine compounds
Azo compounds
1H NMR
• Exchangeable protons with D2O
 
• Signals in the deep field (δ > 8 ppm)
Ar–NO2; pyridine compounds
• Signals in the range δ < 7 ppm)
Ar–NH2
…

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previous chapter Nuclear Magnetic Resonance Spectroscopy (NMR)
next chapter Tables
Literature
1.
Pretsch E, Tóth G, Munk ME, Bardertscher M (2002) Computer-aided structure elucidation. Wiley, Weinheim
2.
Ningh Y-C (2005) Structural identification of organic compounds with spectroscopic techniques. Wiley, Weinheim
3.
Silverstein RM, Webster FX, Kiemle D (2005) Spectrometric identification of organic compounds. Wiley, New York
Metadata
Title
Molecular Structure Determination by Means of Combined Application of Methods
Authors
Manfred Reichenbächer
Jürgen Popp
Copyright Year
2012
Publisher
Springer Berlin Heidelberg
Book
Challenges in Molecular Structure Determination

Print ISBN: 978-3-642-24389-9

Electronic ISBN: 978-3-642-24390-5

Copyright Year: 2012

DOI
https://doi.org/10.1007/978-3-642-24390-5_5