(S)-1-PHENYL-2-(P-TOLYL)ETHYLAMINE(30339-30-1) MS
Product Name(S)-1-PHENYL-2-(P-TOLYL)ETHYLAMINE
CAS30339-30-1
Molecular FormulaC15H17N
Molecular Weight211.3
InChIInChI=1/C15H17N/c1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14/h2-10,15H,11,16H2,1H3/t15-/s3
InChIKey ZICDZTXDTPZBKH-UJHUVDBMNA-N
SmilesN[C@H](C1=CC=CC=C1)CC1=CC=C(C)C=C1 |&1:1,r|
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MassMS-IW-4061 (S)-1-phenyl-2-(p-tolyl)ethylamine C15H17N (Mass of molecular ion: 211)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 6.2 51.0 1.0 77.0 7.4 78.0 1.5 79.0 18.0 80.0 1.2 91.0 2.4 103.0 1.2 104.0 3.1 105.0 4.1 106.0 100.0 107.0 8.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H17 N 0.05 ml : 0.5 ml CDCl3 (S)-1-phenyl-2-(p-tolyl)ethylamine 
Assign. Shift(ppm)
A 7.34 B 7.32 C 7.231 D *1 7.08 E *1 7.05 F 4.146 G *2 2.962 J *2 2.773 K 2.301 L 1.9 J(G,F)=4.8HZ J(G,J)=-13.3HZ J(J,F)=8.9HZ
Hz ppm Int.2939.45 7.356 89 2937.62 7.351 119 2935.42 7.345 63 2934.45 7.343 55 2931.03 7.334 417 2928.83 7.329 440 2928.22 7.327 392 2925.90 7.322 70 2922.00 7.312 259 2921.26 7.310 332 2919.43 7.305 118 2915.16 7.295 83 2913.45 7.291 121 2911.87 7.287 36 2897.83 7.251 88 2896.12 7.247 136 2894.04 7.242 72 2891.85 7.236 74 2889.89 7.232 102 2889.16 7.230 134 2886.60 7.223 60 2885.25 7.220 31 2884.16 7.217 53 2882.45 7.213 72 2880.62 7.208 51 2834.59 7.093 111 2833.98 7.092 124 2825.93 7.072 446 2820.56 7.058 508 2818.36 7.053 104 2814.21 7.042 68 2812.26 7.037 134 1663.09 4.162 34 1662.72 4.161 34 1661.99 4.159 33 1658.45 4.150 41 1658.08 4.149 41 1657.84 4.149 41 1657.47 4.148 41 1656.98 4.147 40 1655.52 4.143 41 1655.15 4.142 41 1650.88 4.131 34 1650.63 4.131 34 1193.85 2.988 52 1189.09 2.976 52 1180.54 2.954 73 1175.66 2.942 69 1118.41 2.799 100 1109.50 2.777 98 1104.98 2.765 75 1096.07 2.743 71 919.80 2.302 1000
(at 60.C)
liquid film
