2-(4-Aminophenyl)ethanol(104-10-9) MS
Product Name2-(4-Aminophenyl)ethanol
CAS104-10-9
Molecular FormulaC8H11NO
Molecular Weight137.18
InChIInChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2
InChIKey QXHDYMUPPXAMPQ-UHFFFAOYSA-N
SmilesC1(CCO)=CC=C(N)C=C1
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MassMS-NW-4677 p-aminophenethyl alcohol C8H11NO (Mass of molecular ion: 137)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 1.0 28.0 1.9 31.0 1.4 39.0 2.2 51.0 2.1 52.0 1.9 53.0 1.8 63.0 1.1 65.0 1.7 66.0 1.0 77.0 7.6 78.0 3.1 79.0 4.3 80.0 1.3 91.0 1.2 93.0 1.7 104.0 1.6 106.0 100.0 107.0 8.5 118.0 1.1 119.0 1.4 137.0 17.6 138.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H11 N O 0.053 g : 0.5 ml CDCl3 p-aminophenethyl alcohol 
Assign. Shift(ppm)
A 6.998 B 6.640 C 3.765 D 2.9 E 2.744
Hz ppm Int.631.94 7.057 493 629.88 7.034 209 625.69 6.987 227 623.44 6.962 824 621.63 6.941 145 621.06 6.935 144 600.50 6.706 135 598.13 6.679 1000 595.94 6.655 308 594.19 6.635 66 591.75 6.608 218 589.63 6.584 604 587.13 6.556 84 344.44 3.846 418 337.69 3.771 985 331.31 3.700 596 261.75 2.923 82 257.06 2.871 82 256.75 2.867 80 256.38 2.863 82 255.44 2.853 89 255.00 2.848 85 254.56 2.843 91 253.94 2.836 95 251.81 2.812 477 248.56 2.776 122 248.00 2.770 123 245.31 2.740 777 238.75 2.666 368 236.50 2.641 105 235.88 2.634 88 235.31 2.628 78 233.94 2.613 63 233.38 2.606 62
in CDCl3
KBr disc
nujol mull
