4-PHENYLBUTYLAMINE(13214-66-9) MS
Product Name4-PHENYLBUTYLAMINE
CAS13214-66-9
Molecular FormulaC10H15N
Molecular Weight149.23
InChIInChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKey AGNFWIZBEATIAK-UHFFFAOYSA-N
SmilesC1(CCCCN)=CC=CC=C1
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MassMS-NW-5567 4-phenylbutylamine C10H15N (Mass of molecular ion: 149)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.1 27.0 1.6 28.0 2.8 30.0 100.0 31.0 2.1 39.0 3.5 41.0 2.1 42.0 1.0 43.0 4.0 44.0 1.7 45.0 29.5 51.0 2.7 56.0 2.5 63.0 1.5 65.0 5.4 77.0 3.0 78.0 1.7 79.0 1.2 89.0 1.0 91.0 14.5 92.0 1.8 103.0 1.5 104.0 12.2 105.0 2.5 106.0 1.8 115.0 1.2 117.0 2.3 131.0 1.9 132.0 3.9 149.0 15.8 150.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H15 N 0.04 ml : 0.5 ml CDCl3 4-phenylbutylamine 
Assign. Shift(ppm)
A 7.27 to 7.11 B 2.68 C 2.64 D 1.67 to 1.45 E 1.29
Hz ppm Int.658.69 7.355 92 656.06 7.326 47 655.44 7.319 46 653.44 7.297 74 651.13 7.271 191 649.25 7.250 213 648.19 7.238 202 646.19 7.216 979 644.88 7.201 1000 641.13 7.159 160 640.63 7.154 141 639.31 7.139 96 638.56 7.130 118 637.88 7.123 85 637.38 7.117 102 637.06 7.114 107 635.88 7.101 53 632.13 7.059 47 248.44 2.775 174 241.88 2.701 435 235.06 2.625 438 231.13 2.581 64 230.56 2.575 51 227.69 2.543 233 157.56 1.760 65 155.63 1.738 46 154.44 1.725 56 152.88 1.708 72 149.75 1.673 109 148.81 1.662 95 147.88 1.652 91 147.00 1.642 88 145.38 1.624 135 144.94 1.619 131 143.44 1.602 208 142.56 1.592 194 142.06 1.587 194 141.63 1.582 200 139.38 1.557 318 138.25 1.544 177 136.56 1.525 270 134.75 1.505 144 133.25 1.488 85 132.44 1.479 105 131.75 1.472 120 130.69 1.460 134 129.94 1.451 112 129.31 1.444 99 127.56 1.425 72 125.38 1.400 72 124.94 1.396 75 122.38 1.367 56 121.44 1.356 57 121.06 1.352 52 115.81 1.294 701
in CDCl3
liquid film
4880 A,200 M,liquid
