2-(3-吲哚基)-2-异硫脲氢碘酸盐(26377-76-4)红外图谱(IR1)
分子式:C9H10IN3S
分子量: 319.17
InChI:InChI=1S/C9H9N3S.HI/c10-9(11)13-8-5-12-7-4-2-1-3-6(7)8;/h1-5,12H,(H3,10,11);1H
InChIKey: LQKOQCZXEQTTIW-UHFFFAOYSA-N
Smiles:C1(SC(N)=N)=CNC2C=CC=CC1=2.I
90 MHz in DMSO-d6
400 MHz in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C9 H10 I N3 S
|
0.047 g : 0.5 ml DMSO-d6
|
| 2-(3-indolyl)thiouronium iodide
|
 |
Assign. Shift(ppm)
A 12.1
B *1 8.83
C *1 8.56
D 7.985
E 7.57
F 7.49
G *2 7.29
K *2 7.22
J(A,D)=3.0HZ
|
Hz ppm Int.
1085.12 12.117 348
791.17 8.834 364
766.65 8.561 373
720.51 8.046 69
720.08 8.041 73
716.66 8.003 993
713.67 7.969 978
710.00 7.928 66
687.27 7.674 64
686.24 7.663 63
683.25 7.629 303
681.29 7.608 334
680.43 7.598 316
678.13 7.572 459
675.65 7.545 729
674.71 7.534 604
673.94 7.526 643
671.20 7.495 502
668.38 7.463 530
665.73 7.434 130
664.79 7.423 160
663.26 7.406 97
663.09 7.404 97
661.38 7.385 165
659.24 7.361 285
657.36 7.340 107
654.37 7.307 681
652.15 7.282 1000
648.65 7.243 918
644.97 7.202 728
643.18 7.182 435
639.76 7.144 99
638.05 7.125 153
636.94 7.112 100
636.34 7.106 106
-
| 1H NMR |
399.65 MHz |
| C9 H10 I N3 S
|
0.040 g : 0.5 ml DMSO-d6
|
| 2-(3-indolyl)thiouronium iodide
|
|
Assign. Shift(ppm)
A 12.1
B *1 8.89
C *1 8.55
D 8.002
E 7.577
F 7.509
G 7.283
J 7.223
|
Hz ppm Int.
4852.08 12.141 392
3553.25 8.891 458
3416.24 8.549 461
3199.55 8.006 1000
3196.62 7.999 969
3032.50 7.588 585
3024.45 7.568 686
3005.21 7.520 482
2997.34 7.500 559
2919.67 7.306 235
2918.57 7.303 247
2912.53 7.288 462
2911.61 7.286 506
2904.65 7.268 384
2903.37 7.265 330
2893.11 7.240 410
2892.20 7.237 418
2885.24 7.220 555
2878.28 7.203 245
2877.36 7.200 224