trans-Cinnamaldehyde(14371-10-9) MS
Product Nametrans-Cinnamaldehyde
CAS14371-10-9
Molecular FormulaC9H8O
Molecular Weight132.16
InChIInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey KJPRLNWUNMBNBZ-QPJJXVBHSA-N
SmilesC(=O)/C=C/C1=CC=CC=C1
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MassMS-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
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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
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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
in CDCl3
liquid film
