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Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
ocmainz inhouse-2
expt-2
ocmainz inhouse-2
1 D 101.4 101.6101.4101.3
2 S 157.4 157.8157.4157.3
3 D 118.3 121.4118.3118.3
4 D 130.9 131.2130.9130.9
5 S 143.7 144.0143.7143.6
6 S 125.4 126.7126.4126.3
8 D 148.3 147.3147.0147.1
9 D 121.1 118.6121.1121.1
10 S 147.0 148.5148.3148.2
11 D 71.5 71.571.571.5
12 D 59.9 60.159.959.6
13 T 21.4 27.621.420.8
14 D 27.7 27.927.728.1
15 D 39.8 39.939.840.0
16 T 56.9 56.956.949.9
18 T 43.0 43.343.049.4
19 T 27.5 21.427.526.2
20 D 141.7 141.7141.7140.5
21 T 114.1 114.5114.1114.2
25 Q 56.4 55.855.455.3




Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
expt-2
ocmainz inhouse-2
1 D 101.4 101.6101.4101.3
2 S 157.4 157.8157.4157.3
3 D 118.3 121.4118.3118.3
4 D 130.9 131.2130.9130.9
5 S 143.7 144.0143.7143.6
6 S 126.4 126.7125.4126.3
8 D 147.0 147.3148.3147.1
9 D 121.1 118.6121.1121.1
10 S 148.3 148.5147.0148.2
11 D 71.5 71.571.571.5
12 D 59.9 60.159.959.6
13 T 21.4 27.621.420.8
14 D 27.7 27.927.728.1
15 D 39.8 39.939.840.0
16 T 56.9 56.956.949.9
18 T 43.0 43.343.049.4
19 T 27.5 21.427.526.2
20 D 141.7 141.7141.7140.5
21 T 114.1 114.5114.1114.2
25 Q 55.4 55.856.455.3




Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
expt-2
ocmainz inhouse-2
1 D 101.3 101.6101.4101.4
2 S 157.3 157.8157.4157.4
3 D 118.3 121.4118.3118.3
4 D 130.9 131.2130.9130.9
5 S 143.6 144.0143.7143.7
6 S 126.3 126.7125.4126.4
8 D 147.1 147.3148.3147.0
9 D 121.1 118.6121.1121.1
10 S 148.2 148.5147.0148.3
11 D 71.5 71.571.571.5
12 D 59.6 60.159.959.9
13 T 20.8 27.621.421.4
14 D 28.1 27.927.727.7
15 D 40.0 39.939.839.8
16 T 49.9 56.956.956.9
18 T 49.4 43.343.043.0
19 T 26.2 21.427.527.5
20 D 140.5 141.7141.7141.7
21 T 114.2 114.5114.1114.1
25 Q 55.3 55.856.455.4




Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
expt-1
ocmainz inhouse-2
expt-2
ocmainz inhouse-2
1 D 101.6 0.629902 101.4101.4101.3
2 S 157.8 0.615196 157.4157.4157.3
3 D 121.4 0.789216 118.3118.3118.3
4 D 131.2 0.620098 130.9130.9130.9
5 S 144.0 0.428922 143.7143.7143.6
6 S 126.7 0.566176 125.4126.4126.3
8 D 147.3 0.517157 148.3147.0147.1
9 D 118.6 0.708333 121.1121.1121.1
10 S 148.5 0.536765 147.0148.3148.2
11 D 71.5 0.419118 71.571.571.5
12 D 60.1 0.803922 59.959.959.6
13 T 27.6 0.617647 21.421.420.8
14 D 27.9 1.0 27.727.728.1
15 D 39.9 0.551471 39.839.840.0
16 T 56.9 0.580882 56.956.949.9
18 T 43.3 0.693627 43.043.049.4
19 T 21.4 0.676471 27.527.526.2
20 D 141.7 0.602941 141.7141.7140.5
21 T 114.5 0.526961 114.1114.1114.2
25 Q 55.8 0.52451 56.455.455.3




Spectral Data   Additional Data   Download  
Type: 1H
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
1-H 7.113 (H 26) 7.225
3-H 7.213 (H 27) 7.252
4-H 7.864 (H 28) 7.868
8-H 8.474 (H 29) 8.423
9-H 7.495 (H 30) 7.442
11-H 5.593 (H 31) 5.485
12-H 2.969 (H 32) 3.08
13-H 2.070 (H 33), 1.039 (H 34)
14-H 1.730 (H 35) 1.74
15-H 2.206 (H 36) 2.234
16-H 2.870 (H 37), 3.404 (H 38) 3.039
18-H 2.840 (H 39), 2.711 (H 40) 3.45
19-H 1.74
20-H 6.065 (H 43) 5.708
21-H 5.030 (H 44), 5.040 (H 45) 4.89
22-H 5.450 (H 23) 5.38
25-H 3.788 (H 46) 3.877




Spectral Data   Additional Data   Download  
Type: 1H
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
1-H 7.225 (H 26) 7.113
3-H 7.252 (H 27) 7.213
4-H 7.868 (H 28) 7.864
8-H 8.423 (H 29) 8.474
9-H 7.442 (H 30) 7.495
11-H 5.485 (H 31) 5.593
12-H 3.080 (H 32) 2.969
13-H 2.07
14-H 1.740 (H 35) 1.73
15-H 2.234 (H 36) 2.206
16-H 3.039 (H 37), 2.610 (H 38) 2.87
18-H 3.450 (H 39), 2.590 (H 40) 2.84
19-H 1.740 (H 41), 1.470 (H 42)
20-H 5.708 (H 43) 6.065
21-H 4.890 (H 44), 4.940 (H 45) 5.03
22-H 5.380 (H 23) 5.45
25-H 3.877 (H 46) 3.788




Spectral Data   Additional Data   Download  
Type: 15N
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
7 S 300.20
17 S 33.23





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