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Guide to NMR spectra notations/nomenclature needed

  1. Apr 2, 2005 #1

    VDX

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    Hello everyone. In the literature I come across spectra data as in the examples below:

    English example:
    1H-NMR (CDCl3) δ: 1.09 (3H, t, CH3), 3.77 (3H, s, OCH3), 3.97-4.28 (2H, m, CH2), 4.28 (1H, s, CH) 6.41 (2H, t, pyrrole-H), 6.78 (2H, t, pyrrole-H), 7.13-7.21 (5H, m, ArH), 8.53 (1H, d, J=5.2Hz, ArH), 8.69(1H, s, ArH); MS(m/z): 368(M+).

    French example:
    'H RMN (CDC13) 8 : 1,47 (s, 9H) ; 2,93 (dd, 1H) ; 3,07 (dd, 1H) ; 3,95 (d, 1H) ; 4,27 (ls, 1H) ; 4,34 (d, 1H) ; 5,64 (LD, 1H) ; 7,00 (M, 2H) ; 7,18 (td, 1H) ; 7,41 (d, 1H) HPLC (Chiracel OD, HEXANE/ISOPROPANOL (92 : 8), 0,5 ML/MIN) : composé (Xa-1), temps de rétention = 12,71 min ; composé (Xa-2), temps de RéTENTION = 14, 05 min ; rapport des AUC (Xa-1)/ (Xa-2) = 98 : 2.

    Would someone be so kind as to point me to a reference for the above notation scheme in English (and if possible in French)?

    Thanks, and great work with this forum! :wink:
     
  2. jcsd
  3. Apr 2, 2005 #2

    xanthym

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    Science Advisor

    The above are Proton (1H) NMR spectra, using chloroform (CDCl3) solvent, presented in standard format, indicating the Chemical Shifts (in ppm), the number of structurally equiv H atoms producing the shift ("nH"), the splitting pattern ("s"=singlet, "d"=doublet, "t"=triplet, "m"=multiplet, etc.) caused by spin coupled adjacent non-equiv H atoms, and the identified Functional Group. Examples:

    "1.09 (3H, t, CH3)" ----> Chem Shift 1.09 ppm, 3 H atoms (struct equiv), triplet (3 lines) from adjacent spin-coupled H, and identified CH3 functional group.
    "3.97-4.28 (2H, m, CH2)" ----> Chem Shift spread from 3.97-4.28 ppm, 2 H atoms (struct equiv), multiple lines from adjacent spin-coupled H, and identified CH2 functional group.

    More info on interpreting NMR chemical shifts can be found here:
    http://wwwchem.uwimona.edu.jm:1104/spectra/nmrintro.html


    ~~
     
    Last edited: Apr 2, 2005
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