反式肉桂醛(14371-10-9)Raman光譜
InChI:InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Smiles:C(=O)/C=C/C1=CC=CC=C1
-
Mass
MS-IW-3842
trans-cinnamaldehyde
C9H8O (Mass of molecular ion: 132)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
27.0 1.5
28.0 1.1
29.0 1.0
38.0 1.2
39.0 3.7
50.0 8.6
51.0 21.2
51.5 1.1
52.0 5.5
53.0 1.2
54.0 1.0
55.0 1.1
61.0 1.1
62.0 2.5
63.0 5.7
65.0 1.1
74.0 5.3
75.0 4.7
76.0 5.1
77.0 35.7
78.0 26.1
79.0 1.7
89.0 1.2
91.0 2.5
101.0 1.5
102.0 8.9
103.0 54.5
104.0 27.4
105.0 3.5
131.0 100.0
132.0 74.8
133.0 7.3
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C9 H8 O
|
0.04 ml : 0.5 ml CDCl3
|
| trans-cinnamaldehyde
|
 |
Assign. Shift(ppm)
A 9.699
B 7.64 to 7.33
C 7.48
D 6.624
|
Hz ppm Int.
872.46 9.742 993
864.84 9.657 1000
683.42 7.631 137
682.98 7.626 91
682.25 7.618 51
681.45 7.609 105
681.08 7.605 150
680.57 7.600 130
680.13 7.595 168
679.61 7.589 108
678.74 7.579 157
677.56 7.566 457
676.46 7.554 315
675.95 7.548 206
674.63 7.533 281
674.19 7.528 245
673.68 7.523 366
673.17 7.517 634
672.73 7.512 470
672.14 7.505 245
671.63 7.500 211
670.83 7.491 276
670.31 7.485 331
669.51 7.476 369
668.48 7.465 336
667.90 7.458 999
667.60 7.455 952
667.24 7.451 820
666.21 7.439 373
664.75 7.423 609
663.87 7.413 197
663.57 7.410 201
663.06 7.404 221
661.67 7.389 553
660.64 7.377 455
659.91 7.369 106
659.03 7.359 75
658.30 7.351 65
657.79 7.345 59
657.20 7.339 49
612.01 6.834 530
604.39 6.749 500
596.04 6.656 327
588.43 6.571 310
-
| 1H NMR |
399.65 MHz |
| C9 H8 O
|
0.05 ml : 0.5 ml CDCl3
|
| trans-cinnamaldehyde
|
|
Assign. Shift(ppm)
A 9.673
B 7.529
C 7.43
D 7.42 to 7.38
E 6.687
J(C,E)=16.0HZ
J(A,E)=7.8HZ
|
Hz ppm Int.
3870.09 9.684 824
3862.15 9.664 814
3018.34 7.553 47
3017.88 7.552 55
3014.98 7.545 363
3014.37 7.543 366
3012.85 7.539 472
3012.24 7.538 422
3010.86 7.534 155
3009.49 7.531 367
3009.03 7.530 369
3007.97 7.527 379
3005.22 7.520 493
3004.76 7.519 531
3002.47 7.513 144
2999.57 7.506 61
2998.35 7.503 33
2997.44 7.501 33
2996.83 7.499 32
2979.43 7.456 471
2974.70 7.444 32
2972.72 7.439 40
2970.73 7.434 41
2969.67 7.431 31
2966.61 7.424 186
2963.56 7.416 704
2962.19 7.412 1000
2960.36 7.408 876
2959.75 7.406 782
2957.15 7.400 565
2955.17 7.395 534
2952.58 7.388 143
2952.12 7.387 138
2951.05 7.385 171
2950.59 7.383 171
2947.69 7.376 74
2946.47 7.373 64
2945.86 7.372 80
2942.66 7.364 41
2939.00 7.354 30
2684.02 6.716 530
2676.24 6.697 532
2668.00 6.676 480
2660.37 6.657 472