DL-alpha-Methylbenzylamine(618-36-0) Raman
Product NameDL-alpha-Methylbenzylamine
CAS618-36-0
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChIKey RQEUFEKYXDPUSK-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(N)C
-
MassMS-NW-1311 (+-)-alpha-methylbenzylamine C8H11N (Mass of molecular ion: 121)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.4 18.0 2.3 27.0 2.4 28.0 14.7 39.0 3.0 41.0 1.1 42.0 11.9 43.0 6.7 44.0 16.2 50.0 3.1 51.0 7.5 52.0 2.6 53.0 5.9 63.0 1.5 65.0 1.2 74.0 1.0 76.0 1.0 77.0 12.9 78.0 4.7 79.0 23.2 80.0 1.7 91.0 1.5 103.0 2.6 104.0 4.8 105.0 4.5 106.0 100.0 107.0 8.8 120.0 6.2 121.0 1.5
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H11 N 10.6 mol% in CDCl3 (+-)-alpha-methylbenzylamine 
Assign. Shift(ppm)
A 1.355 B 4.050 C 1.87 D 7.18 to 7.38
Hz ppm Int.658.00 7.348 128 655.63 7.321 272 653.75 7.300 353 652.38 7.285 895 651.06 7.270 231 649.94 7.258 306 647.75 7.233 224 646.31 7.217 104 644.94 7.202 54 644.50 7.197 54 643.88 7.190 39 641.56 7.164 39 373.13 4.167 53 366.56 4.093 162 359.94 4.019 171 353.31 3.945 63 167.13 1.867 480 126.69 1.415 36 124.69 1.393 1000 123.06 1.375 37 122.56 1.369 40 120.06 1.341 36 118.06 1.319 944 115.88 1.294 32
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
