Product Name4-Methylbenzylamine
CAS104-84-7
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
InChIKey HMTSWYPNXFHGEP-UHFFFAOYSA-N
SmilesC1(CN)=CC=C(C)C=C1
Mass
MS-NW-5855 p-methylbenzylamine C8H11N (Mass of molecular ion: 121)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.1 28.0 20.3 29.0 3.9 30.0 26.3 38.0 2.0 39.0 10.1 40.0 1.2 41.0 3.1 42.0 1.0 46.0 1.2 50.0 3.8 51.0 7.9 52.0 2.8 53.0 2.8 54.0 1.2 58.0 2.1 59.5 7.9 60.0 1.1 62.0 2.2 63.0 5.7 64.0 1.6 65.0 10.8 66.0 1.5 74.0 1.1 76.0 1.1 77.0 23.9 78.0 6.4 79.0 16.0 80.0 1.9 89.0 3.4 90.0 1.8 91.0 31.2 92.0 7.8 93.0 35.6 94.0 3.1 102.0 1.1 103.0 6.5 104.0 100.0 105.0 29.1 106.0 54.0 107.0 5.8 117.0 1.4 118.0 4.4 119.0 2.8 120.0 77.5 121.0 34.0 122.0 4.2 223.0 1.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H11 N | 0.04 ml : 0.5 ml CDCl3 |
p-methylbenzylamine |
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Assign. Shift(ppm) |
Hz ppm Int.
649.25 7.250 27 648.06 7.237 23 640.38 7.151 735 636.69 7.110 31 631.38 7.050 24 631.00 7.046 25 339.88 3.795 459 207.81 2.321 745 126.69 1.415 1000
in CDCl3
liquid film
4-Methylbenzylamine(104-84-7) IR1 Atlas of Related Products