Product Name3-METHYLCINNAMIC ACID
CAS14473-89-3
Molecular FormulaC10H10O2
Molecular Weight162.19
InChI
InChIKey
Smiles
Mass
MS-KW-0541 3-methylcinnamic acid C10H10O2 (Mass of molecular ion: 162)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.4 27.0 2.7 28.0 1.9 38.0 1.8 39.0 13.7 40.0 1.4 41.0 2.7 43.0 4.5 44.0 2.0 45.0 5.3 50.0 5.3 51.0 10.2 52.0 3.5 53.0 2.3 55.0 2.0 57.0 3.8 57.5 9.0 58.0 6.4 58.5 1.9 60.0 2.8 61.0 1.2 62.0 3.8 63.0 10.7 64.0 2.3 65.0 14.9 66.0 2.2 69.0 1.7 72.0 2.3 72.5 2.0 74.0 2.6 75.0 3.4 76.0 2.1 77.0 6.6 78.0 2.8 79.0 3.2 80.0 7.7 86.0 1.1 87.0 1.5 89.0 8.3 90.0 2.5 91.0 31.7 92.0 4.7 93.0 2.4 101.0 1.5 102.0 5.0 103.0 8.4 104.0 1.1 105.0 10.6 106.0 1.6 107.0 1.2 108.0 1.2 113.0 1.0 114.0 1.5 115.0 50.7 116.0 23.9 117.0 30.0 118.0 6.9 119.0 8.7 120.0 1.8 121.0 1.4 133.0 4.2 134.0 3.7 143.0 1.0 144.0 8.1 145.0 26.4 146.0 3.1 147.0 63.2 148.0 6.4 161.0 66.1 162.0 100.0 163.0 11.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C10H10O2 | 0.039 g : 0.5 ml CDCl3 |
trans-3-methylcinnamic acid |
Assign. Shift(ppm) |
Hz ppm Int.
4864.87 12.169 1 4712.64 11.789 6 4530.75 11.334 1 3110.20 7.780 235 3094.26 7.740 249 2937.46 7.348 224 2936.36 7.345 227 2935.81 7.344 236 2933.25 7.338 154 2932.51 7.336 157 2931.23 7.333 169 2917.13 7.297 142 2914.01 7.289 28 2909.43 7.278 225 2906.14 7.270 38 2901.56 7.258 132 2885.62 7.218 150 2878.11 7.200 91 2579.34 6.452 379 2563.41 6.412 354 1007.67 2.521 8 975.98 2.442 5 945.21 2.365 1000 881.28 2.205 8
in CDCl3
KBr disk
Nujol
3-METHYLCINNAMIC ACID(14473-89-3) IR2 Atlas of Related Products
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