NMR Spectroscopy
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Spectroscopy
Transcript of NMR Spectroscopy
.
2011
NMR
:()().
:
Larmor: 0 =0/2
Larmor
NMR
NMR
1NMR ()300MHz
NMR
-
CH
() .
+ CH
A()
()
()(0)
h, .
h. h,h..
,, ( h),h
1HNMR:
300MHz1NMR 2,21 (),CDCl3.
1H NMR
13C NMR
1HNMR
= TMS Hz
MHzppm
CCH3
H3CCH3
CH2 OH
a
b
ca
a
a-H : 78 Hz TMSb-H : 258 Hz TMSc-H : 287 Hz TMS
1H NMR (90 MHz)
a-H : = 0,87 (78 / 90)b-H : = 2,87 (258 / 90)c-H : = 3,19 (287 / 90)
1
H3C
H3C
CH3
CH3
H3C
H3C
CH2X
CH3
XH2C
H3C
H
CH3
H3C
XH2C
H
CH3
H3C
H3C
H
CH2X
H3C
H3C
X
CH3
H3C
H3C
H
CH3
1NMR
.
.
NMR
.
CH3CH2CH2Br
1,06 1,81 3,47
CH3-C-Br
CH3
H
1,73
4,21
H2C COCH3
HH2C C
OCH3
H
OCH3 OCH3
NO2 NOO
CH3Cl = 3.05
CH2Cl2 = 5,30
CHCl3 = 7,27
.:
(,).
:0+h
.
HH H
H
H
H
H
HH
H
H
HH
HH
HH
H 8,9 -1,8
HH
-0,5
-
(+):
():
-
C
CHHH
CC
HH
C
H
CC C
C
C-C
C-C
C-C
O
H
:
90MHz1R 1,12,2.
>> J
:.
J .
: =5,36ppm (d,J =7Hz,1H), =4,39ppm(d,J =7Hz,1H)
1,12,2.
Spin spin
spin spin .
+1J.
J.
1NMR(300MHz) .
+1
Spin spin
+1
1NMR(300MHz) 2.
a b
spinspin
J
J
NMR 60MHz100MHz
NMR :21(2).
,90MHz,CH2 .
+1
1,1,2 +1.
Jab < Jbc
J =J.,:.
+37oC65oC
1HNMRCH3OH
CH3 CH3
OH OH
.
HCH2,
1HNMR
spinspin
CH
H
C CHH
C CH H
C CH
H
C CH
CH
C CH
H
HC CCH
12 - 20
2 - 9
11 - 18
4 - 10
0 - 3,5
6 - 14
1 - 3
C CH
C CH
HC CH
O
C CH H
10 - 13
3 - 7
2 - 3
Ha
HaHeHe
Jaa = 10 - 13
Jae = 2 - 5
Jee= 2 - 5
H
H
Jo = 7 - 10
Jm = 2 - 3
Jp= 0,1 - 1
O HH
O H
H
O
H
O H
H
H
1,5
1,8
3,4
0,9
J (Hz) J (Hz) J (Hz)
J
HH
CH4
H3C CH3
H3C CH2 CH3
(CH3)3CH
HH
CH3OH
CH3CH2OH
(CH3)2CHOH
O CH3H3C
O CH3C CH3O
CH3NH2
S CH3H3C
0,22
0,23
0,86
1,33
1,56
1,44
3,38
3,56
3,85
3,24
3,67
2,46
2,12
CH3I
CH3Br
CH3Cl
CH3F
CH2Cl2
CHCl3CH3CN
CH3NO2
CH2H3C
H3C
CH3
H3C C CH3O
CH3COOH
CH3CHO
CH3COCl
2,15
2,69
3,06
4,27
5,30
7,27
2,00
4,33
1,70
2,31
2,07
2,10
2,20
2,67
HC CH
H2C CH2
HC CH CH3H3Ctrans-
H
H H
H
H
H H
H
CH=CH2
EtO2C CH=CH CO2Et
H
H
O H
H
H
H
O
2,88
5,28
5,46
5,78
6,42
6,665,1 - 5,6
6,83
5,59
6,37
4,65
5,39
6,88NH
H
N
CH3
H
H
H
H
H
H
7,27
7,10
NO2
HH
H
OCH3
HH
H
8,227,40
7,61
6,847,18
6,90
8,50
7,38
7,75
6,88
6,22
1NMR
CH2X: :H
Sgem
Scis
Strans
= 5,28 + Sgem+ Scis + Strans = 0,23 + SX + S
:
= 7,27 + S
13C NMR 1-
13CNMR ,13C.
.
13CNMR ,.
13C C7H14
CH4
H3C CH3
H3C CH2 CH3
(CH3)3CH
S CH3H3C
CH3I
CH3Br
CH3Cl
CH3F
CH2Cl2
CHCl3
CH3CN
CH3NO2
5,9
16,1
25,2
27,2
19,5
-20,5
10,2
25,1
75,4
53,4
77,7
0,3
57,3
-2,5 CH3OH
C CH3C
H
CH3
H3C C CH3O
49,2
17,3
21,3
30,2
H
CH3
C OH
C OR
49 - 70
59 - 75
C NR2 25 - 55
C CH 67 - 70
C CR 74 - 85
C N 117 - 130
C CH2
HC CH CH3H3C
~ 110
C CHR 120 - 140
C CR2 140 - 165
O
C C C
CH3
123,3
128,4149,8
75 - 97
200 - 215
128,7
137,8
129,3128,5
125,6
NO2148,3
123,4129,5
134,7
N 135,9
123,9150,2
- 100 - 170
C CH2 107,7H3C
H3C
13CNMR
13CNMR
13CNMR 4
DEPTNMR652
()..
()DEPT90.CH.
()DEPT135.CH CH3 CH2.
MRI
(RI)
MRI
MRI ,.
MRI .laser..
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