M. Zimnicka – wykłady

14/01/2022

 
Spectra for the lecture: „Advanced methods of identifying organic compounds” and individual exercises in this field

I would like to thank prof. Witold Danikiewicz who led this course for the last years for sharing with me his rich collection of spectra.

Magdalena Zimnicka

NMR spectra on this website were performed in Group XVI of the Institute of Organic Chemistry PAS. I would like to express my sincere thanks to all employees of this team – without their work it would be impossible to prepare this lecture.

Witold Danikiewicz and Magdalena Zimnicka

 
Abbreviations used to describe the NMR data:
¹H – standard proton spectrum
¹³C – standard, fully proton decoupled carbon spectrum
¹³C DEPT –DEPT 135° spectrum (unless otherwise specified)
¹³C Gated Decoupling – carbon spectrum with preserved coupling constants 1H–13C
COSY – correlation spectrum (2D) ¹H–¹H
HSQC or HETCOR (for Varian spectrometer) – correlation spectrum (2D) ¹H–¹³C through 1 bond
HMBC – correlation spectrum (2D) ¹H–¹³C through 2-3 bonds
NOE – spectrum of simple NOE experiment
NOE ref. – reference NOE spectrum (to be subtracted from the rest of the NOE spectra)
NOESY – correlation spectrum (2D) NOE – shows protons interacting through space

NMR data from Bruker 500:

A. 1-heptyne – 1-heptyne.zip

    1. 1H
    2. COSY
    3. HSQC
    4. HMBC
    5. DEPT
    6. 13C

B. 1-nitronaphthalene – 1-nitronaphthalene.zip

    1. 1H
    2. 1H (another concentration, better spectrum quality)
    3. COSY
    4. HSQC
    5. DEPT
    6. 13C

C. 1- nitronaphthalene -HMBC (supplement to„1- nitronaphthalene”) – 1-nitronaphthalene-HMBC.zip

    1. 1H
    2. HMBC
    3. 13C

D. 2-4-dinitro-1-naphthol – 2-4-dinitro-1-naphthol.zip

    1. 1H
    2. COSY
    3. HSQC
    4. 13C
    5. 13C Gated Decoupling
    6. HMBC
    7. 1H (spectrum repeated)
    8. 13C (repeated, better)

E. 6-nitroquinoline – 6-nitroquinoline.zip

    1. 1H
    2. COSY
    3. HSQC
    4. DEPT
    5. 13C
    6. 1H (repeated spectrum – lower concentration)

F. Crotonaldehyde – crotonaldehyde.zip

    1. 1H
    2. HSQC
    3. 13C

G. quinoline (contains impurities) – quinoline.zip

    1. 1H
    2. 1H (higher concentration)
    3. COSY
    4. HSQC
    5. DEPT
    6. 13C

H. quinoline-HMBC (supplement to „quinoline”) – quinoline-HMBC.zip

    1. 1H
    2. HMBC
    3. 13C

I. ethyloxirane – ethyloxirane.zip

    1. 1H
    2. HSQC
    3. 13C

J. camphor – camphor.zip

    1. 1H
    2. COSY
    3. NOESY
    4. HSQC
    5. HMBC
    6. DEPT
    7. 13C

K. catechin-DMSO (in DMSO-d6) – catechin-DMSO.zip

    1. 1H
    2. COSY
    3. HSQC
    4. HMBC
    5. DEPT
    6. 13C
    7. 1H (repeated – lower concentration)

L. catechin-methanol (in CD3OD) – catechin-methanol.zip

    1. 1H

M. m-chloronitrobenzene – m-chloronitrobenzene.zip

    1. 1H
    2. HSQC
    3. 13C

N. menthol – menthol.zip

    1. 1H
    2. COSY
    3. HSQC
    4. HMBC
    5. DEPT
    6. 13C
    7. 1H (repeated)

O. NEt3 (triethylamine in D2O) – NEt3.zip

    1. 1H
    2. 13C

P. NEt4I (tetraethylammonium iodide in D2O) – NEt4I.zip

    1. 1H
    2. 13C

Q. o-chloronitrobenzene – o-chloronitrobenzene.zip

    1. 1H
    2. HSQC
    3. 13C

R. p-chloronitrobenzene – p-chloronitrobenzene.zip

    1. 1H
    2. HSQC
    3. 13C

No Comments

Skip to content