茜素黃 R 鈉鹽(1718-34-9)核磁圖(13CNMR)
分子式:C13H8N3NaO5
分子量: 309.21
InChI:InChI=1S/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;
InChIKey: HXKKTXMJSVFQSL-WPDLWGESSA-M
Smiles:C1(C=CC(O)=C(C([O-])=O)C=1)/N=N/C1C=CC([N+]([O-])=O)=CC=1.[Na+]
400 MHz in CDCl3
400 MHz in D2O
-
| 1H NMR |
399.65 MHz |
| C13 H8 N3 Na O5
|
0.025 g : 0.5 ml DMSO-d6
|
| Alizarin Yellow R
|
 |
Assign. Shift(ppm)
A 18.1
B 8.37
C 8.36
D 7.960
E 7.865
F 6.765
|
Hz ppm Int.
7226.80 18.083 140
3347.17 8.376 961
3344.97 8.370 962
3342.29 8.364 800
3340.33 8.359 465
3338.38 8.354 1000
3335.69 8.347 172
3185.79 7.972 973
3178.71 7.954 370
3176.76 7.949 847
3174.32 7.943 145
3149.17 7.880 342
3146.48 7.874 328
3140.38 7.858 357
3137.70 7.852 341
2708.25 6.777 565
2699.46 6.755 555
-
| 1H NMR |
399.65 MHz |
| C13 H8 N3 Na O5
|
0.041 g : 0.5 ml D2O
|
| Alizarin Yellow R
|
|
Assign. Shift(ppm)
A 8.070
B 7.896
C 7.617
D 7.585
E 6.797
SOLVENT PEAK REMOVED
|
Hz ppm Int.
3226.44 8.074 665
3223.88 8.067 676
3160.40 7.908 859
3156.37 7.898 75
3151.73 7.887 1000
3146.36 7.873 30
3048.46 7.628 934
3044.07 7.617 85
3039.67 7.606 833
3036.87 7.599 389
3034.30 7.593 319
3031.37 7.586 50
3028.08 7.577 337
3025.51 7.571 328
2720.70 6.808 575
2715.70 6.796 30
2715.33 6.795 30
2711.91 6.786 558