N-[(4-甲基苯基)磺酰基]-L-精氨酸甲酯(901-47-3)核磁图(13CNMR)
分子式:C14H22N4O4S
分子量: 342.41
InChI:InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1
InChIKey: FKMJXALNHKIDOD-LBPRGKRZSA-N
Smiles:C(OC)(=O)[C@H](CCCNC(N)=N)NS(C1=CC=C(C)C=C1)(=O)=O
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Assign. Shift(ppm)
A 8.34
B 7.86
C 7.646
D *1 7.4
E 7.384
F *1 7.1
G 3.752
J 3.384
K 3.030
L 2.382
M *2 1.62
N *2 1.55
P *3 1.45
Q *3 1.36
ASSIGNED BY H-H AND C-H COSY.
J(A,G)=8.7HZ
J(B,K)=5.5HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
171.45 618 1
156.92 604 2
142.67 514 3
137.84 524 4
129.39 1000 5
126.42 979 6
55.19 382 7
51.74 485 8
39.65 282 9
28.81 309 10
24.73 326 11
20.94 480 12
CONFIRMED BY C-H COSY.
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull