Towards the automatic analysis of NMR spectra: Part 6. Confirmation of chemical structure employing both 1H and 13C NMR spectra

Magnetic Resonance in Chemistry

Volumn 44, Issue 2, 2006, Pages 139-145

  Griffiths, Lee ^a   Horton, Rob ^a  

^a ASTRAZENECA   (United Kingdom)

Author keywords

13C NMR; 1H NMR; Auto analysis; HSQC; Structure confirmation

Indexed keywords

13C NMR; 1H NMR; AUTO-ANALYSE; AUTOMATIC ANALYSIS; FALSE POSITIVE RATES; H NMR SPECTRA; HSQC; NMR SPECTRUM; STRUCTURE CONFIRMATION; TRUE POSITIVE;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 31644449338     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.1736     Document Type: Article

References (20)

1. Griffiths L. Magn. Reson. Chem. 2000; 38: 444.
2. Griffiths L. Magn. Reson. Chem. 2001; 39: 194.
3. Griffiths L, Bright JD. Magn. Reson. Chem. 2002; 40: 623.
4. Griffiths L. Magn. Reson. Chem. 2006; 44: 54.
5. Griffiths L, Horton R. Magn. Reson. Chem. 2004; 42: 1012.
6. Griffiths L. Annu. Rep. NMR Spectrosc. 2003; 50: 217.
7. (a) Müller L. J. Am. Chem. Soc. 1979; 101: 4481;
8. (b) Bax A, Griffey RH, Hawkins BL. J. Magn. Reson. 1983; 55: 301;
9. (c) Martin GE, Zektzer AS. Two-Dimensional NMR Methods for Establishing Molecular Connectivity. VCH: Weinheim, 1988; 213;
10. (d) Braun S, Kalinowski H-O, Berger S. 150 and More Basic NMR Experiments. VCH: Weinheim, 1998; 384.
11. (a) Bodenhausen G, Ruben DJ. Chem. Phys. Lett. 1980; 69: 185;
12. (b) Braun S, Kalinowski H-O, Berger S. 150 and More Basic NMR Experiments. VCH: Weinheim, 1998; 397.
13. (a) Kay LE, Keifer P, Saarinen T. J. Am. Chem. Soc. 1992; 114: 10 663;
14. (b) Palmer AG, Cavanagh J, Wright PE, Rance M. J. Magn. Reson. 1991; 93: 151;
15. (c) Kontaxis G, Stonehouse J, Laue ED, Keeler J. J. Magn. Reson., Ser. A 1994; 111: 70;
16. (d) Schleucher J, Schwendinger M, Sattler M, Schmidt P, Schedletzky O, Glaser SJ, Sørensen OW, Giesinger C. J. Biomol. 1994; 4: 301;
17. (e) Braun S, Kalinowski H-O, Berger S. 150 and More Basic NMR Experiments. VCH: Weinheim, 1998; 497.
18. Advanced Chemistry Development Inc. Toronto, Ontario, Canada.
19. Meiler J, Maier W, Will M, Meusinger R. J. Magn. Reson. 2002; 157: 242.
20. Armitage P, Berry G. Statistical Methods in Medical Research. Blackwell Scientific Publications: Oxford, 1987.