2-PhenylethylaMine(64-04-0) 13C NMR
Product Name2-PhenylethylaMine
CAS64-04-0
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey BHHGXPLMPWCGHP-UHFFFAOYSA-N
SmilesC1(CCN)=CC=CC=C1
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MassMS-NW-0761 phenethylamine C8H11N (Mass of molecular ion: 121)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 2.3 30.0 100.0 31.0 1.3 39.0 3.2 50.0 1.3 51.0 2.7 63.0 2.1 65.0 5.5 77.0 2.4 89.0 1.4 91.0 15.1 92.0 6.5 103.0 1.6 120.0 1.0 121.0 6.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H11 N 0.04 ml : 0.5 ml CDCl3 phenethylamine 
Assign. Shift(ppm)
A 7.42 to 7.04 B 2.929 C 2.733 D 1.16
Hz ppm Int.654.88 7.313 75 652.38 7.285 219 651.31 7.273 135 650.50 7.264 123 647.63 7.232 1000 645.81 7.211 838 642.81 7.178 191 641.31 7.161 104 640.56 7.153 124 639.94 7.146 115 639.31 7.139 80 638.63 7.131 81 638.25 7.127 87 637.88 7.123 89 272.44 3.042 110 269.81 3.013 131 267.00 2.982 115 263.38 2.941 561 258.63 2.888 386 257.50 2.876 429 249.63 2.788 319 248.69 2.777 297 243.75 2.722 359 240.19 2.682 106 237.38 2.651 90 234.81 2.622 82 103.88 1.160 859
in CDCl3
liquid film
