C8953
NMR strukturní analýza
semináˇr
HMBC correlations
Jan Novotný, Ondˇrej Jurˇcek
176003@is.muni.cz, ondrej.jurcek@ceitec.muni.cz
April 11, 2018
Folic Acid: 1H 1D
N
N
N
N
O
NH2
N
H
O
O
O
–
O
–
O
NH
1
2
3
4
5
6
7
8
9
10 11 12
13
14
15
16
17
18
19
20
21
22
23
2425
Folic Acid: 13C 1D
N
N
N
N
O
NH2
N
H
O
O
O
–
O
–
O
NH
1
2
3
4
5
6
7
8
9
10 11 12
13
14
15
16
17
18
19
20
21
22
23
2425
Folic Acid: 1H-15N HMBC
8
8
6
6
4
4
2
2
δ2 - 1
H (ppm)
300 300
250 250
200 200
150 150
100 100
δ1-15
N(ppm)
N
N
N
N
O
NH2
N
H
O
O
O
–
O
–
O
NH
1
2
3
4
5
6
7
8
9
10 11 12
13
14
15
16
17
18
19
20
21
22
23
2425
Folic Acid: 1H-13C HMBC
8
8
6
6
4
4
2
2
δ2 - 1H (ppm)
150 150
100 100
50 50
δ1-13C(ppm)
N
N
N
N
O
NH2
N
H
O
O
O
–
O
–
O
NH
1
2
3
4
5
6
7
8
9
10 11 12
13
14
15
16
17
18
19
20
21
22
23
2425
Riboflavine: DQF-COSY
8
8
6
6
4
4
2
2
δ2 - 1H (ppm)
8 8
7 7
6 6
5 5
4 4
3 3
δ1-1
H(ppm)
5a
9a
6
9
7
8
4a
10a
N
5
N
10
NH
3
2
4
N
1
13
14
15
16
17
OH
OH
OH
OH
O
O
CH3
11
CH3
12
Riboflavine: 1H-13C HSQC
8
8
6
6
4
4
2
2
δ2 - 1
H (ppm)
120 120
100 100
80 80
60 60
40 40
20 20
δ1-13C(ppm)
5a
9a
6
9
7
8
4a
10a
N
5
N
10
NH
3
2
4
N
1
13
14
15
16
17
OH
OH
OH
OH
O
O
CH3
11
CH3
12
Riboflavine: NOESY
8
8
6
6
4
4
2
2
δ2 - 1
H (ppm)
8 8
7 7
6 6
5 5
4 4
3 3
δ1-1
H(ppm)
5a
9a
6
9
7
8
4a
10a
N
5
N
10
NH
3
2
4
N
1
13
14
15
16
17
OH
OH
OH
OH
O
O
CH3
11
CH3
12
Riboflavine: 1H-13C HMBC
8
8
7
7
6
6
5
5
4
4
3
3
δ2 - 1H (ppm)
150 150
100 100
50 50
δ1-13
C(ppm)
5a
9a
6
9
7
8
4a
10a
N
5
N
10
NH
3
2
4
N
1
13
14
15
16
17
OH
OH
OH
OH
O
O
CH3
11
CH3
12
Riboflavine: 1H-13C HMBC + HSQC
8
8
7
7
6
6
5
5
4
4
3
3
δ2 - 1H (ppm)
150 150
100 100
50 50
δ1-13
C(ppm)
5a
9a
6
9
7
8
4a
10a
N
5
N
10
NH
3
2
4
N
1
13
14
15
16
17
OH
OH
OH
OH
O
O
CH3
11
CH3
12