ChemAxon NMR Predictor - Version 6.0.

4
Date: Mon Aug 19 22:15:33 BRT 2013
Compound structure

Spectrum

Page 1 of 3

Spectrum type: 1H
Measurement frequency: 500.0 MHz

ChemAxon NMR Predictor - Version 6.0.4

Date: Mon Aug 19 22:15:33 BRT 2013

Spectrum type: 1H
Measurement frequency: 500.0 MHz

Shift list
Atom numbers Chemical shift Net intensity
36, 37, 38
46
28, 29, 30
39
42
31, 32
33, 34
40, 41, 47, 48
35, 45
43, 44, 49, 50

3,48 ppm
3,51 ppm
3,76 ppm
4,01 ppm
5,31 ppm
6,83 ppm
7,14 ppm
7,44 ppm
7,47 ppm
7,79 ppm

3
1
3
1
1
2
2
4
2
4

Multiplet
information
s
d
s
s
sx
d
q
t
n
q

Quality

Multiplet
information
s
s
s
d
d
q
q
n
s
s
s
s
t
t
sx
q
q
n
d
t
t
q
q

Quality

medium
good
good
rough
good
good
medium
good
good
medium

Atom list
Atom number Chemical shift Net intensity
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
Coupling constants
Atom 1
46
42
42
42

3,76 ppm
3,76 ppm
3,76 ppm
6,83 ppm
6,83 ppm
7,14 ppm
7,14 ppm
7,47 ppm
3,48 ppm
3,48 ppm
3,48 ppm
4,01 ppm
7,44 ppm
7,44 ppm
5,31 ppm
7,79 ppm
7,79 ppm
7,47 ppm
3,51 ppm
7,44 ppm
7,44 ppm
7,79 ppm
7,79 ppm

3
3
3
2
2
2
2
2
3
3
3
1
4
4
1
4
4
2
1
4
4
4
4

Atom 2
42
33
34
46
Page 2 of 3

good
good
good
good
good
medium
medium
good
medium
medium
medium
rough
good
good
good
medium
medium
good
good
good
good
medium
medium

Value
5,0100 Hz
-1,0000 Hz
-1,0000 Hz
5,0100 Hz

ChemAxon NMR Predictor - Version 6.0.4

Date: Mon Aug 19 22:15:33 BRT 2013
Atom 1
31
32
33
33
34
34
40
40
41
41
47
47
48
48
35
35
35
35
45
45
45
45
43
43
44
44
49
49
50
50

Atom 2
33
34
31
42
32
42
35
43
35
44
45
49
45
50
40
41
43
44
47
48
49
50
35
40
35
41
45
47
45
48

Page 3 of 3

Spectrum type: 1H
Measurement frequency: 500.0 MHz
Value
7,5000 Hz
7,5000 Hz
7,5000 Hz
-1,0000 Hz
7,5000 Hz
-1,0000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
7,5000 Hz
2,5000 Hz
2,5000 Hz
7,5000 Hz
7,5000 Hz
2,5000 Hz
2,5000 Hz
2,5000 Hz
7,5000 Hz
2,5000 Hz
7,5000 Hz
2,5000 Hz
7,5000 Hz
2,5000 Hz
7,5000 Hz