2-Amino-4-phenylbutane(22374-89-6) 13C NMR
Product Name2-Amino-4-phenylbutane
CAS22374-89-6
Molecular FormulaC10H15N
Molecular Weight149.24
InChIInChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKey WECUIGDEWBNQJJ-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)CC(N)C
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MassMS-NW-6644 1-methyl-3-phenylpropylamine C10H15N (Mass of molecular ion: 149)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.7 27.0 1.4 30.0 1.3 39.0 2.7 41.0 1.2 42.0 3.0 43.0 1.8 44.0 100.0 45.0 3.1 51.0 2.5 57.0 1.3 58.0 1.3 63.0 1.2 65.0 3.5 71.0 2.2 77.0 2.8 78.0 1.5 79.0 1.4 91.0 19.0 92.0 2.6 103.0 1.2 104.0 1.2 105.0 1.1 115.0 1.1 117.0 7.9 132.0 14.2 133.0 1.5 134.0 1.8 149.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H15 N 0.05 ml : 0.5 ml CDCl3 1-methyl-3-phenylpropylamine 
Assign. Shift(ppm)
A 7.20 B 2.87 C 2.64 D 1.62 E 1.41 F 1.081
Hz ppm Int.660.94 7.380 33 660.31 7.373 33 658.13 7.349 51 655.81 7.323 43 654.69 7.311 53 652.94 7.291 71 650.00 7.258 195 649.31 7.251 194 648.00 7.236 221 645.75 7.211 966 644.56 7.197 1000 642.06 7.170 228 641.00 7.158 181 638.63 7.131 127 638.13 7.126 121 637.19 7.115 123 632.81 7.066 39 632.44 7.062 40 631.56 7.052 39 629.81 7.033 31 267.94 2.992 40 261.69 2.922 89 255.38 2.852 100 249.00 2.781 64 244.81 2.734 105 243.56 2.720 118 240.38 2.685 34 237.31 2.650 177 233.81 2.611 139 231.56 2.586 46 228.19 2.548 248 156.38 1.747 140 151.31 1.690 62 149.88 1.674 228 147.94 1.652 162 145.63 1.627 79 145.00 1.620 77 143.31 1.601 87 140.81 1.573 178 139.88 1.562 138 136.63 1.526 44 134.44 1.502 101 133.19 1.488 107 126.69 1.415 299 116.06 1.296 42 113.94 1.273 30 103.19 1.153 36 101.88 1.138 76 99.94 1.116 956 97.63 1.091 105 95.69 1.069 111 93.63 1.046 895 85.00 0.950 31 84.56 0.945 31
in CDCl3
liquid film
4880 A,200 M,liquid
