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General   ocmainz inhouse-2  
Spectral Data   Additional Data   Download  
Type: 13C 500
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
expt-1
dkfz spektren database
1 S 141.99 0.24 142.2140.4
2 D 115.96 0.9 116.1116.3
3 D 128.33 0.87 128.4127.4
4 D 123.98 0.89 122.2124.2
5 D 122.03 0.89 124.1122.2
6 S 132.39 0.27 132.8132.7
7 S 51.73 0.4 51.952.0
8 D 59.84 0.96 60.160.6
9 S 169.01 0.26 169.2169.2
10 T 42.23 0.92 42.942.9
11 D 77.35 0.94 77.577.7
12 D 47.95 1.0 48.248.3
13 D 31.35 0.87 31.631.6
14 T 26.58 0.83 26.926.8
15 D 60.00 0.96 60.160.1
16 T 42.59 1.0 42.442.5
17 T 50.11 0.99 52.750.4
18 T 52.43 0.99 50.352.7
19 S 140.00 0.4 140.6142.3
20 D 127.31 0.92 127.1127.4
21 T 64.36 0.98 64.664.6





Spectral Data   Additional Data   Download  
Type: 1H 500
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
2-H 8.02 0.34 7.99
3-H 7.19 0.21 7.15
4-H 7.03 0.22 6.99
5-H 7.10 0.22 7.06
8-H 3.79 0.41 3.76
10-H 3.09, 2.60 1.0;0.18 3.01
11-H 4.22 0.2 4.18
12-H 1.22 0.17 1.16
13-H 3.09 1.0 3.04
14-H 2.28, 1.41 0.18;0.4 2.25
15-H 3.91 0.55 3.85
16-H 1.84, 1.83 0.37;0.35 1.78
17-H 3.16, 2.81 0.07;0.27 3.1
18-H 3.64, 2.70 0.45;0.41 3.61
20-H 5.86 0.6 5.81
21-H 4.08, 4.01 0.26;0.13 4.05





Spectral Data   Additional Data   Download  
Type: 15N 40.5509
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
24 S 150.10
25 S 37.85





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
expt-1
ocmainz inhouse-2
1 S 140.4 0.616352 141.99142.2
2 D 116.3 0.877358 115.96116.1
3 D 127.4 0.902516 128.33128.4
4 D 124.2 0.839623 123.98122.2
5 D 122.2 0.867925 122.03124.1
6 S 132.7 0.666667 132.39132.8
7 S 52.0 0.691824 51.7351.9
8 D 60.6 1.0 59.8460.1
9 S 169.2 0.701258 169.01169.2
10 T 42.9 0.877358 42.2342.9
11 D 77.7 0.801887 77.3577.5
12 D 48.3 0.842767 47.9548.2
13 D 31.6 0.707547 31.3531.6
14 T 26.8 0.685535 26.5826.9
15 D 60.1 0.726415 60.060.1
16 T 42.5 0.603774 42.5942.4
17 T 50.4 0.858491 50.1152.7
18 T 52.7 0.795597 52.4350.3
19 S 142.3 0.610063 140.0140.6
20 D 127.4 0.902516 127.31127.1
21 T 64.6 0.820755 64.3664.6






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