Version vom 2. März 2009, 13:36 Uhr von Fkoehler(Diskussion | Beiträge)(Die Seite wurde neu angelegt: „=== cis-1,2-Bis-(10-bromanthracen-9-yl)ethylen === links Trying to automatically assign NMR standard...“)
Trying to automatically assign NMR standard reference.
Filename: cis-dibrom-bianthryl-c2.nmr.log
Reference tms B3LYP/6-31G*
H : 32.182000
C : 189.771800
Si : 414.381400
Nr Sym absshield nmrshift
1 C 53.918000 135.8538
2 C 65.411100 124.3607
3 C 65.576100 124.1957
4 C 65.026600 124.7452
5 C 66.009100 123.7627
6 C 62.704800 127.0670
7 C 66.517700 123.2541
8 C 70.740100 119.0317
9 C 69.890000 119.8818
10 C 69.941200 119.8306
11 C 68.040300 121.7315
12 C 67.530500 122.2413
13 C 70.660100 119.1117
14 C 69.660300 120.1115
15 C 61.808300 127.9635
16 H 23.626200 8.5558
17 H 23.642300 8.5397
18 H 24.554900 7.6271
19 H 24.052600 8.1294
20 H 24.392300 7.7897
21 C 61.808300 127.9635
22 C 62.704800 127.0670
23 C 65.026600 124.7452
24 C 66.009100 123.7627
25 C 65.576100 124.1957
26 C 65.411100 124.3607
27 C 53.918000 135.8538
28 C 67.530500 122.2413
29 C 70.660100 119.1117
30 C 68.040300 121.7315
31 C 69.660300 120.1115
32 C 70.740100 119.0317
33 C 66.517700 123.2541
34 C 69.941200 119.8306
35 C 69.890000 119.8818
36 H 24.392300 7.7897
37 H 24.052600 8.1294
38 H 25.141200 7.0408
39 H 23.626200 8.5558
40 H 24.526500 7.6555
41 Br 2324.690300 -
42 Br 2324.690300 -
43 H 24.526500 7.6555
44 H 25.141200 7.0408
45 H 25.640500 6.5415
46 H 24.554900 7.6271
47 H 25.640500 6.5415
48 H 24.249800 7.9322
49 H 24.249800 7.9322
50 H 23.642300 8.5397
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