胞苷(65-46-3)紅外圖譜(IR1)
分子式:C9H13N3O5
分子量: 243.22
InChI:InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKey: UHDGCWIWMRVCDJ-XVFCMESISA-N
Smiles:OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O
-
Mass
MS-NW-9238
cytidine
C9H13N3O5 (Mass of molecular ion: 243)
Source Temperature: 200 °C
Sample Temperature: 200 °C
Direct, 75 eV
15.0 1.8
16.0 1.1
17.0 2.8
18.0 12.4
19.0 2.2
27.0 2.9
28.0 9.0
29.0 5.4
30.0 1.8
31.0 5.7
39.0 1.7
40.0 3.4
41.0 6.2
42.0 9.1
43.0 9.2
44.0 7.3
45.0 4.1
52.0 2.5
53.0 1.1
54.0 2.1
55.0 4.6
56.0 3.5
57.0 10.0
58.0 1.6
60.0 3.5
61.0 3.1
66.0 1.2
67.0 5.0
68.0 9.5
69.0 14.6
70.0 4.5
71.0 3.7
72.0 1.3
73.0 8.7
74.0 1.9
79.0 1.6
81.0 1.7
82.0 1.0
83.0 4.9
84.0 2.5
85.0 3.1
86.0 1.4
94.0 5.8
95.0 9.7
96.0 4.3
97.0 2.5
109.0 1.3
110.0 2.0
111.0 29.1
112.0 100.0
113.0 6.9
114.0 1.7
122.0 1.5
123.0 1.1
124.0 1.2
125.0 1.2
126.0 1.3
133.0 1.1
135.0 1.0
136.0 1.6
138.0 1.1
140.0 42.5
141.0 3.3
151.0 26.9
152.0 2.7
154.0 6.1
170.0 8.2
178.0 2.0
244.0 1.2
400 MHz in D2O
400 MHz in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C9 H13 N3 O5
|
0.037 g : 0.5 ml D2O
|
| cytidine
|
 |
Assign. Shift(ppm)
A 7.848
B 6.038
C 5.908
D 4.317
E 4.224
F 4.150
G *1 3.954
J *1 3.840
THE SOLVENT PEAK SUPPRESSED.
J(A,B)=7.6 HZ
J(A,C)=4.0 HZ
J(C,D)=5.2 HZ
J(D,E)=5.1 HZ
J(E,F)=5.1 HZ
|
Hz ppm Int.
3140.26 7.858 977
3132.69 7.839 1000
2416.02 6.046 448
2408.45 6.027 432
2363.16 5.914 847
2359.25 5.904 853
1730.22 4.330 429
1726.20 4.320 485
1724.98 4.317 660
1720.95 4.307 551
1694.09 4.239 459
1688.11 4.224 767
1682.74 4.211 516
1664.92 4.166 258
1662.11 4.159 335
1660.64 4.156 401
1657.84 4.149 378
1656.13 4.144 300
1654.54 4.140 277
1651.73 4.133 209
1589.72 3.978 339
1586.91 3.971 348
1576.90 3.946 572
1574.10 3.939 544
1541.99 3.859 548
1537.60 3.848 525
1529.30 3.827 356
1524.90 3.816 328
-
| 1H NMR |
399.65 MHz |
| C9 H13 N3 O5
|
0.038 g : 0.5 ml DMSO-d6
|
| cytidine
|
|
Assign. Shift(ppm)
A 7.866
B 7.24
C 5.787
D 5.751
E 5.340
F 5.09
G 5.05
J 3.95
K 3.834
L *1 3.662
M *1 3.559
J(C,J)=3.8 HZ.
J(A,D)=7.4 HZ.
|
Hz ppm Int.
3147.71 7.877 947
3140.26 7.858 1000
2895.02 7.244 451
2314.94 5.793 850
2311.16 5.783 883
2302.25 5.761 840
2294.80 5.743 837
2136.60 5.347 499
2132.20 5.336 520
2037.72 5.099 358
2032.59 5.086 758
2027.34 5.073 390
2019.04 5.053 498
2014.89 5.042 530
1585.69 3.968 474
1579.71 3.953 880
1574.83 3.941 482
1537.60 3.848 240
1534.42 3.840 529
1530.27 3.830 487
1526.98 3.821 216
1471.80 3.683 193
1470.09 3.679 210
1466.80 3.671 195
1462.89 3.661 307
1459.84 3.653 314
1457.89 3.648 329
1454.83 3.641 246
1431.40 3.582 249
1427.73 3.573 317
1426.39 3.570 331
1422.73 3.560 283
1419.43 3.552 207
1415.89 3.543 197
1414.18 3.539 206