Product NameL-1-Phenylethylamine
CAS2627-86-3
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/s3
InChIKey RQEUFEKYXDPUSK-KPOCXSGKNA-N
Smiles[C@H](C1C=CC=CC=1)(N)C |&1:0,r|

Mass
MS-NW-1486 L-(-)-alpha-methylbenzylamine C8H11N (Mass of molecular ion: 121)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.3
18.0 2.2
27.0 2.2
28.0 14.2
39.0 3.3
41.0 1.1
42.0 12.2
43.0 6.9
44.0 16.7
50.0 3.6
51.0 8.5
52.0 2.8
53.0 6.2
63.0 1.6
65.0 1.3
74.0 1.2
76.0 1.1
77.0 14.0
78.0 5.3
79.0 24.3
80.0 1.8
91.0 1.3
103.0 3.0
104.0 5.8
105.0 3.8
106.0 100.0
107.0 7.9
120.0 6.1
121.0 1.1
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C8 H11 N | 0.04 ml : 0.5 ml CDCl3 |
| L-(-)-alpha-methylbenzylamine | |
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Assign. Shift(ppm) |
Hz ppm Int.
658.50 7.353 114
656.13 7.327 210
652.69 7.288 786
651.50 7.275 232
650.13 7.260 230
649.13 7.248 97
648.69 7.244 102
647.69 7.232 168
646.56 7.220 98
644.75 7.200 57
644.13 7.193 40
641.69 7.165 51
374.69 4.184 35
368.00 4.109 108
361.44 4.036 116
354.88 3.963 42
139.56 1.559 244
124.81 1.394 1000
118.19 1.320 946
in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

L-1-Phenylethylamine(2627-86-3) Raman Atlas of Related Products
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