N-Benzylethanolamine(104-63-2) 1H NMR
Product NameN-Benzylethanolamine
CAS104-63-2
Molecular FormulaC9H13NO
Molecular Weight151.21
InChIInChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey XNIOWJUQPMKCIJ-UHFFFAOYSA-N
SmilesC(O)CNCC1=CC=CC=C1
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MassMS-NW-9043 2-(benzylamino)ethanol C9H13NO (Mass of molecular ion: 151)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 2.7 18.0 13.3 27.0 1.0 28.0 2.2 30.0 2.5 39.0 2.9 41.0 1.2 42.0 2.0 45.0 1.0 51.0 2.4 56.0 1.3 60.0 1.0 63.0 1.8 65.0 8.1 74.0 1.1 77.0 2.4 79.0 2.2 89.0 1.9 90.0 1.1 91.0 100.0 92.0 9.8 105.0 1.0 106.0 2.6 107.0 1.0 118.0 2.0 120.0 45.4 121.0 4.2 151.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H13 N O 0.04 ml : 0.5 ml CDCl3 2-(benzylamino)ethanol 
Assign. Shift(ppm)
A 7.38 to 7.17 B 3.772 C 3.62 D 2.75 E 2.55
Hz ppm Int.655.81 7.323 46 654.63 7.310 135 652.75 7.289 1000 651.19 7.271 241 649.50 7.253 82 649.13 7.248 95 337.81 3.772 595 329.63 3.681 135 326.56 3.647 40 324.63 3.625 175 323.31 3.610 107 322.00 3.596 52 319.31 3.566 191 251.56 2.809 190 248.81 2.779 48 247.50 2.764 99 246.25 2.750 171 244.31 2.728 50 241.25 2.694 145 228.69 2.554 291
in CDCl3
liquid film
4880 A,200 M,liquid
