6-苄基腺苷(4294-16-0)核磁图(13CNMR)
分子式:C17H19N5O4
分子量: 357.36
InChI:InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKey: MRPKNNSABYPGBF-LSCFUAHRSA-N
Smiles:OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)NCC3=CC=CC=C3)N=C2)[C@H](O)[C@@H]1O
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Assign. Shift(ppm)
A 8.47
B 8.401
C 8.23
D 7.347
E 7.296
F 7.213
G 5.924
J 5.48
K 5.43
L 5.22
M 4.73
N 4.647
D 4.179
Q 3.997
R *1 3.695
S *1 3.580
ASSIGNED BY H-H COSY
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
155.41 290 1
153.08 330 2
149.57 81 3
140.74 482 4
140.59 289 5
128.92 999 6
127.89 1000 7
127.35 386 8
120.40 190 9
88.80 326 10
86.66 342 11
74.33 361 12
71.40 375 13
62.43 291 14
44.08 105 15
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc