α-Methylcinnamaldehyde(101-39-3) MS
Product Nameα-Methylcinnamaldehyde
CAS101-39-3
Molecular FormulaC10H10O
Molecular Weight146.19
InChIInChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3
InChIKey VLUMOWNVWOXZAU-UHFFFAOYSA-N
SmilesC(=O)C(C)=CC1=CC=CC=C1
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MassMS-NW-8888 alpha-methylcinnamaldehyde C10H10O (Mass of molecular ion: 146)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.4 28.0 1.4 29.0 1.5 38.0 1.1 39.0 14.8 40.0 3.7 41.0 2.4 50.0 4.5 51.0 13.7 52.0 3.0 53.0 1.1 57.5 2.5 58.0 1.9 62.0 2.5 63.0 8.8 64.0 1.8 65.0 10.1 74.0 1.8 75.0 2.5 76.0 2.6 77.0 9.1 78.0 24.9 79.0 2.2 87.0 1.0 89.0 7.5 90.0 1.7 91.0 26.7 92.0 2.6 102.0 3.4 103.0 7.6 105.0 3.4 114.0 1.0 115.0 45.7 116.0 12.6 117.0 56.5 118.0 8.5 127.0 1.6 128.0 1.8 129.0 1.2 131.0 7.7 144.0 1.0 145.0 100.0 146.0 73.1 147.0 7.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H10 O 9.8 mol% in CDCl3 alpha-methylcinnamaldehyde 
Assign. Shift(ppm)
A 2.06 B 9.563 C 7.24 D 7.30 to 7.64
Hz ppm Int.856.50 9.564 653 680.50 7.599 31 679.81 7.591 43 679.44 7.587 48 679.06 7.583 55 677.75 7.568 86 677.25 7.562 83 676.88 7.558 85 676.13 7.550 121 675.38 7.542 141 674.81 7.535 124 673.69 7.523 122 671.63 7.500 205 671.13 7.494 262 669.44 7.475 534 668.13 7.461 359 666.69 7.445 640 665.94 7.436 589 665.44 7.431 292 664.81 7.424 358 662.44 7.397 308 661.19 7.383 263 660.69 7.378 133 658.75 7.356 257 657.94 7.347 92 657.50 7.342 101 656.31 7.329 78 655.25 7.317 66 654.25 7.306 47 653.38 7.296 40 652.69 7.288 44 651.00 7.269 124 649.19 7.249 223 647.88 7.235 229 646.44 7.218 97 185.25 2.069 1000 183.88 2.054 973
in CDCl3
liquid film
