2-噻吩甲醛(98-03-3)紅外圖譜(IR1)
InChI:InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKey: CNUDBTRUORMMPA-UHFFFAOYSA-N
Smiles:C1(C=O)SC=CC=1
-
Mass
MS-NW-1125
2-thiophenecarbaldehyde
C5H4OS (Mass of molecular ion: 112)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
26.0 1.1
28.0 3.0
29.0 3.4
37.0 3.7
38.0 5.2
39.0 29.5
40.0 1.1
42.0 1.8
44.0 1.5
45.0 15.5
49.0 1.7
50.0 3.2
51.0 1.9
53.0 1.3
57.0 8.5
58.0 10.5
69.0 2.6
81.0 3.5
82.0 3.4
83.0 12.2
84.0 3.5
111.0 100.0
112.0 90.7
113.0 9.9
114.0 4.5
parameter in DMSO-d6
parameter in acetone-d6
parameter in benzene-d6
-
| 1H NMR |
300 MHz |
| C5 H4 O S
|
5 mol% in DMSO
|
| 2-thiophenecarbaldehyde
|
 |
Parameter ppm Hz
D(A) 8.13
D(B) 7.94
D(C) 8.03
D(D) 9.97
J(A,B) 5.05
J(A,C) 1.37
J(A,D) 1.33
J(B,C) 3.85
J(B,D) 0.00
J(C,D) -0.14
SALMAN,S.R. ORG.MAGN.RESON. 20, 151 (1982)
|
Hz ppm Int.
2991.65 9.972 996
2990.36 9.968 1000
2442.95 8.143 263
2441.64 8.139 468
2440.31 8.134 292
2437.94 8.126 322
2436.62 8.122 554
2435.31 8.118 330
2411.74 8.039 445
2410.37 8.035 448
2407.88 8.026 617
2406.53 8.022 547
2386.19 7.954 577
2382.31 7.941 505
2381.22 7.937 544
2377.34 7.924 371
-
| 1H NMR |
300 MHz |
| C5 H4 O S
|
5 mol% in acetone-d6
|
| 2-thiophenecarbaldehyde
|
|
Parameter ppm Hz
D(A) 7.94
D(B) 7.30
D(C) 7.99
D(D) 9.99
J(A,B) 3.84
J(A,C) 1.29
J(A,D) -0.13
J(B,C) 4.85
J(B,D) 0.09
J(C,D) 1.24
SALMAN,S.R. ORG.MAGN.RESON. 20, 151 (1982)
|
Hz ppm Int.
2997.62 9.992 997
2996.40 9.988 1000
2400.74 8.002 263
2399.47 7.998 506
2398.23 7.994 307
2395.89 7.986 283
2394.65 7.982 528
2393.40 7.978 318
2384.57 7.949 532
2383.27 7.944 474
2380.73 7.936 565
2379.44 7.931 477
2194.31 7.314 500
2190.46 7.302 535
2189.49 7.298 536
2185.63 7.285 455
-
| 1H NMR |
300 MHz |
| C5 H4 O S
|
5 mol% in benzene-d6
|
| 2-thiophenecarbaldehyde
|
|
Parameter ppm Hz
D(A) 6.96
D(B) 6.56
D(C) 7.05
D(D) 9.54
J(A,B) 4.95
J(A,C) 1.38
J(A,D) 1.18
J(B,C) 3.75
J(B,D) 0.14
J(C,D) -0.15
SALMAN,S.R. ORG.MAGN.RESON. 20, 151 (1982)
|
Hz ppm Int.
2862.59 9.542 998
2861.43 9.538 1000
2117.63 7.059 474
2116.25 7.054 519
2113.86 7.046 501
2112.51 7.042 537
2091.80 6.973 291
2090.53 6.968 477
2089.26 6.964 276
2086.84 6.956 324
2085.58 6.952 516
2084.31 6.948 288
1972.30 6.574 508
1968.56 6.562 524
1967.35 6.558 510
1963.60 6.545 445