噻吩(110-02-1)红外图谱(IR1)
InChI:InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N
Smiles:C1SC=CC=1
-
Mass
MS-NW-5068
thiophene
C4H4S (Mass of molecular ion: 84)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 1.7
32.0 1.1
37.0 3.1
38.0 4.1
39.0 19.7
40.0 1.4
41.0 1.3
42.0 2.5
44.0 1.5
45.0 34.9
47.0 1.7
49.0 1.9
50.0 4.0
51.0 2.9
57.0 8.0
58.0 54.1
59.0 2.2
60.0 2.7
69.0 5.9
81.0 3.3
82.0 2.5
83.0 5.9
84.0 100.0
85.0 5.7
86.0 4.9
90 MHz in CDCl3
parameter in TMS
-
| 1H NMR |
89.56 MHz |
| C4 H4 S
|
0.04 ml : 0.5 ml CDCl3
|
| thiophene
|
 |
Assign. Shift(ppm)
A 7.327
B 7.116
|
Hz ppm Int.
663.63 7.410 27
659.88 7.369 567
658.94 7.358 236
658.31 7.351 316
657.38 7.341 415
656.44 7.330 446
655.00 7.314 443
653.88 7.302 1000
650.19 7.260 99
643.38 7.184 92
639.88 7.145 971
639.19 7.138 413
638.56 7.130 406
637.13 7.115 436
636.25 7.105 424
635.25 7.094 300
634.63 7.087 218
633.88 7.078 602
629.94 7.034 25
-
| 1H NMR |
300 MHz |
| C4 H4 S
|
in TMS
|
| thiophene
|
|
Parameter ppm Hz
D(A) 7.182
D(B) 6.993
J(A,A') 2.84
J(A,B) 4.90
J(A,B') 1.04
J(A',B) 1.04
J(A',B') 4.90
J(B,B') 3.50
READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965)
|
Hz ppm Int.
2161.61 7.205 38
2157.67 7.192 810
2156.32 7.188 390
2155.28 7.184 495
2154.23 7.181 504
2152.99 7.177 434
2151.75 7.172 1000
2147.90 7.160 55
2104.60 7.015 55
2100.75 7.002 999
2099.51 6.998 434
2098.27 6.994 504
2097.22 6.991 495
2096.18 6.987 390
2094.83 6.983 810
2090.90 6.970 38