Thursday, June 12, 2008

How do you prepare nmr shifts for publication?

Found a new software which can format the peaks/integration/J coupling for you.
acd/1d nmr assistant.

you only need to assign the desired peaks, sometimes the integration, j constant will be calculated automatically.
example output:
1H NMR (CHLOROFORM-d) d ppm 0.58 (3 H, d, J=7.0 Hz), 0.88 (9 H, m), 0.95 (11 H, m), 1.05 (6 H, m), 1.28 (6 H, m), 1.46 (2 H, m), 1.83 (9 H, m), 2.19 (6 H, m), 2.44 (2 H, m), 3.04 (1 H, d, J=9.0 Hz), 3.13 (1 H, m), 3.80 (1 H, d, J=5.1 Hz), 7.28 (15 H, m), 7.42 (9 H, m)

READY for publication!!!!!!!!!!!!!!!!!!

For carbon nmr, you can also get a peak list:
example output:
(ppm)
20.0
25.1
28.2
31.2
32.4
33.7
52.7
58.2
61.1
67.0
87.4
117.6
143.4
174.9


added (7-2009)
both mestrec and mestrenova have the function of generating decent NMR formatted report for acs or wiley.

1 comment:

Anonymous said...

Interesting to know.