rac-(1R*)-1-Phenyl-2-aminoethanol(1936-63-6) MS
Product Namerac-(1R*)-1-Phenyl-2-aminoethanol
CAS1936-63-6
Molecular FormulaC8H11NO
Molecular Weight137.17904
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKey ULSIYEODSMZIPX-UHFFFAOYSA-N
SmilesC(O)(C1=CC=CC=C1)CN
-
MassMS-NW-6831 DL-2-amino-1-phenylethanol C8H11NO (Mass of molecular ion: 137)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.2 27.0 1.6 28.0 3.2 29.0 1.1 30.0 100.0 31.0 6.3 32.0 6.3 39.0 3.0 43.0 1.2 50.0 2.8 51.0 6.8 52.0 1.8 53.0 1.1 63.0 1.8 65.0 2.0 77.0 16.4 78.0 3.9 79.0 20.8 80.0 1.5 89.0 1.8 90.0 1.5 91.0 7.1 92.0 2.2 103.0 1.3 104.0 2.0 105.0 4.6 106.0 1.6 107.0 13.4 108.0 3.4 117.0 3.6 118.0 8.7 119.0 5.7 120.0 1.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H11 N O saturated in CDCl3 DL-2-amino-1-phenylethanol 
Assign. Shift(ppm)
A 7.30 B 7.25 C 4.576 D 2.83 E 2.77 F 2.68
Hz ppm Int.2931.76 7.336 80 2930.66 7.334 108 2929.08 7.330 76 2925.17 7.320 158 2923.22 7.315 360 2922.24 7.312 334 2918.46 7.303 467 2916.63 7.298 1000 2911.50 7.286 126 2910.03 7.282 172 2907.35 7.275 66 2903.69 7.266 172 2901.12 7.260 135 2898.19 7.252 127 2897.09 7.250 92 2895.14 7.245 143 2891.60 7.236 79 2888.92 7.229 68 1834.84 4.592 102 1830.69 4.581 97 1827.15 4.572 100 1823.12 4.562 102 1131.96 2.833 45 1107.18 2.771 74 1099.12 2.751 84 1086.18 2.718 85 1072.39 2.684 130
in CDCl3
KBr disc
nujol mull
