2-PHENYLPROPYLAMINE(582-22-9) 13C NMR
Product Name2-PHENYLPROPYLAMINE
CAS582-22-9
Molecular FormulaC9H13N
Molecular Weight135.21
InChIInChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey AXORVIZLPOGIRG-UHFFFAOYSA-N
SmilesC1(C=CC=CC=1)C(C)CN
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MassMS-IW-4182 beta-methylphenethylamine C9H13N (Mass of molecular ion: 135)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.4 41.0 2.3 42.0 28.5 43.0 1.2 51.0 2.9 58.0 14.7 60.0 2.3 65.0 1.2 77.0 6.0 78.0 2.1 79.0 4.5 91.0 6.4 92.0 1.9 103.0 2.7 104.0 3.3 115.0 1.2 117.0 1.9 118.0 2.0 119.0 2.3 120.0 100.0 121.0 9.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H13 N 0.04 ml : 0.5 ml CDCl3 beta-methylphenethylamine 
Assign. Shift(ppm)
A 7.32 to 7.11 B 3.01 to 2.48 C 1.244 D 1.12 400MHZ. : HSP-41-321
Hz ppm Int.665.00 7.426 33 662.19 7.394 86 661.06 7.382 31 660.63 7.377 39 659.31 7.362 82 656.81 7.334 93 654.50 7.308 319 653.69 7.299 151 652.19 7.283 111 651.19 7.271 166 649.56 7.253 1000 647.94 7.235 801 647.13 7.226 980 643.75 7.188 181 642.38 7.173 123 641.81 7.167 83 640.94 7.157 119 639.69 7.143 111 638.81 7.133 53 638.31 7.128 58 636.19 7.104 32 635.06 7.091 43 633.69 7.076 44 259.56 2.899 60 256.69 2.867 101 255.44 2.853 107 254.31 2.840 242 251.75 2.811 647 248.75 2.778 101 246.63 2.754 146 244.63 2.732 48 241.75 2.700 75 240.06 2.681 60 237.94 2.657 50 234.50 2.619 33 233.13 2.604 36 232.56 2.597 33 114.81 1.282 906 113.00 1.262 293 110.00 1.229 229 108.13 1.208 875 106.00 1.184 61 105.13 1.174 50 100.38 1.121 639 94.75 1.058 38
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1H NMR 399.65 MHz C9 H13 N 0.05 ml : 0.5 ml CDCl3 beta-methylphenethylamine Assign. Shift(ppm)
A 7.28 B 7.18 C 7.18 D *1 2.81 E *1 2.79 F 2.71 G 1.224 J 1.2 J(F,G) = 6.8 HZ.
Hz ppm Int.2922.24 7.312 39 2919.92 7.307 167 2918.46 7.303 84 2916.14 7.297 49 2914.55 7.293 141 2913.09 7.290 228 2912.35 7.288 294 2911.38 7.285 252 2908.45 7.278 85 2907.47 7.276 53 2905.27 7.270 303 2904.79 7.269 306 2903.20 7.265 94 2879.52 7.206 72 2877.93 7.202 142 2876.95 7.199 189 2873.66 7.191 335 2872.19 7.187 425 2870.36 7.183 330 2866.94 7.174 155 2864.50 7.168 367 1124.39 2.814 261 1117.43 2.797 428 1099.00 2.750 31 1092.29 2.734 92 1085.45 2.717 147 1078.61 2.699 135 1071.66 2.682 67 492.43 1.233 964 485.60 1.216 1000
in CDCl3
liquid film
4880 A,200 M,liquid
